SCHEMBL118747

SCHEMBL118747

[c]1cc2c(nn1)-c1ccccc1CCC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
CYP2A6 P11509 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPY5R Q15761 5/20 0.41
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.40
NOS3 P29474 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL152894 0.93 KDM4E (0.41) DRD4BCHENOS3HRH4
SCHEMBL467651 0.80 NPY5R (0.32) NPY5RCYP19A1
SCHEMBL467418 0.78 CYP2A6 (0.42) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL467456 0.74 HPGD (0.41) NPY5RCYP3A4
SCHEMBL467462 0.74 BCHE (0.41) DRD4BCHEUSP2
SCHEMBL467458 0.74 NPY5R (0.42) NPY5RTSHRTHRB
SCHEMBL1679489 0.73 KMT2A (0.44) DRD4MAOAMAOBTSHRTHRB
SCHEMBL467676 0.72 DRD4 (0.49) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL23143476 0.71 DRD4 (0.47) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL467763 0.70 DRD4 (0.50) DRD4CYP2A6MAOAMAOBNPY5R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2010 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050970-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2017-02-23 US claimed
EP-2078010-B1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2014-01-29 EP claimed
US-7935693-B2 Polycyclic aryl substituted triazoles and polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2011-05-03 US claimed
EP-2205592-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-07-14 EP claimed
US-7709482-B2 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2010-05-04 US claimed
EP-2078010-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2009-07-15 EP claimed
WO-2009054864-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-04-30 WO claimed
US-20090111816-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-04-30 US claimed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US claimed
WO-2008083367-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO claimed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
WO-2024151489-A1 PHARMACEUTICAL PYRIDYL COMPOSITIONS AND METHODS FOR USE Unicycive Therapeutics Inc. (US) 2024-07-18 WO disclosed
WO-2024151847-A1 IDENTIFICATION OF OTUD7B INHIBITOR 7BI AND ITS APPLICATION IN REDUCING GROWTH OF NSCLC AND LEUKEMIA CELLS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2024-07-18 WO disclosed
US-12036078-B2 Oral products and methods for producing the same PolySpectra, Inc. (US) 2024-07-16 US disclosed
WO-2008083357-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008080134-A2 4-AMIN0-2- (HETERO) ARYLAMINO-5- (HETERO) ARYLTHIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
WO-2008045978-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-04-17 WO disclosed
WO-2008039779-A2 ENHANCED HVAC SYSTEM AND METHOD DAIS ANALYTIC CORPORATION (US) 2008-04-03 WO disclosed