SCHEMBL4308775

SCHEMBL4308775

CCCSCc1cc(N)cc2c(=O)[nH]c(N)nc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.37
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CYP1A2 P05177 1/20 0.36
DYRK1A Q13627 1/20 0.35
BACE1 P56817 1/20 0.35
NOS1 P29475 1/20 0.34
QTRT1 Q9BXR0 2/20 0.33
PNP P00491 2/20 0.33

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
SCHEMBL30583529 1.00 TYMS (0.37) TYMSKDM4EABL1RIN1JAK2
SCHEMBL4316132 0.86 PNP (0.35) TYMSJAK2JAK1TYK2JAK3
SCHEMBL4312369 0.73 PNP (0.36) DYRK1APNP
SCHEMBL4323438 0.64 QTRT1 (0.42) TYMSQTRT1PNP
SCHEMBL30583201 0.64 QTRT1 (0.42) TYMSQTRT1PNP
SCHEMBL7164750 0.62 CYP1A2 (0.51) TYMSKDM4ECYP1A2DYRK1AQTRT1
SCHEMBL12710033 0.61 PARP1 (0.50) TYMSCYP1A2DYRK1A
SCHEMBL12820579 0.61 HTT (0.46) KDM4EABL1RIN1PNP
SCHEMBL12820590 0.60 BACE1 (0.42) TYMSBACE1PNP
SCHEMBL10289344 0.60 CYP1A2 (0.54) TYMSCYP1A2DYRK1AQTRT1PNP

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

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed