SCHEMBL1048846

SCHEMBL1048846

O=C(O)c1[nH]nc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
GSK3A P49840 1/20 0.49
APP P05067 5/20 0.47
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
ACHE P22303 7/20 0.42
BCHE P06276 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.41
GRM5 P41594 1/20 0.41
KDM6B O15054 1/20 0.40
KDM6A O15550 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4D Q6B0I6 1/20 0.40

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
SCHEMBL1384474 0.84 GSK3A (0.48) GSK3BGSK3AAPPPIK3CAMTOR
SCHEMBL1554782 0.80 GSK3A (0.51) GSK3BGSK3AAPPACHEBCHE
SCHEMBL3638216 0.77 PIK3CA (0.42) GSK3BGSK3AAPPPIK3CAMTOR
SCHEMBL16517498 0.75 HCAR2 (0.37) KDM4E
SCHEMBL1637594 0.72 PIK3CA (0.50) GSK3BGSK3AAPPPIK3CAMTOR
SCHEMBL3405867 0.72 CYP1A2 (0.48) KDM4ELMNADHODH
SCHEMBL18208663 0.71 KDM4E (0.40) KDM4EMEN1LMNAKMT2AKDM6B
SCHEMBL27585733 0.71 CAMKK2 (0.44) KDM4EMEN1LMNAKMT2AKDM6B
SCHEMBL1343939 0.71 PIK3CA (0.49) GSK3BGSK3AAPPPIK3CAMTOR
Hydrochloric Acid SCHEMBL20529730 0.70 GSK3A (0.32) GSK3BGSK3AAPPKDM4EMEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017025981-A1 PROCESS FOR THE PREPARATION OF METHYL 4,6-DIAMINO-2-[L-(2-FHIOROBENZVR)-LH-PYRAZOLO I3,4-BLPVRIDIN-3-VN-5-PYRIMIDINYL(METHVL)CARBAMATE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2017-02-16 WO claimed
WO-2023225324-A1 METHODS AND COMPOSITIONS FOR TREATING FATTY LIVER AND VIRAL INFECTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-11-23 WO disclosed
EP-3856178-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2021-08-04 EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
EP-2802592-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2014-11-19 EP disclosed
WO-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 WO disclosed
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP disclosed
WO-2011005759-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS (US) 2011-01-13 WO disclosed
EP-2265335-A1 INDAZOLE DERIVATIVES Pfizer Inc. (US) 2010-12-29 EP disclosed
WO-2009106982-A1 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
EP-1814883-A1 BICYCLIC INHIBITORS OR RHO KINASE Vertex Pharmaceuticals Incorporated (US) 2007-08-08 EP disclosed
WO-2006058120-A1 BICYCLIC INHIBITORS OR RHO KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO disclosed