SCHEMBL7971398

SCHEMBL7971398

C=Cc1cc2ccccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
KMT2A Q03164 2/20 0.48
DAO P14920 1/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42

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
SCHEMBL24703487 0.82 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5640746 0.82 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29894136 0.80 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL342762 0.80 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2898725 0.80 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27786799 0.78 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29247888 0.77 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2604944 0.77 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20853323 0.76 CA12 (0.39) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL28872468 0.76 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569434-B1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA AND RELATED DISORDERS DANA FARBER CANCER INST INC (US) 2019-09-04 EP disclosed
CN-101827851-A 5-cyano-thienopyridines for the treatment of tumors MERCK PATENT GMBH 2010-09-08 CN disclosed
CN-101585801-A Tetrahydrocarbazole compound and synthetic method thereof that the 3-indyl replaces UNIV HUAZHONG NORMAL (CN) 2009-11-25 CN disclosed
US-6300340-B1 USEFUL FOR THERAPY OF CANCER AND SOLID TUMORS ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
US-6162822-A Bisimide compounds ADIR ET COMPAGNIE (FR) 2000-12-19 US disclosed
EP-0820985-B1 Bis imide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-08-30 EP disclosed
US-5854273-A Bisimide compounds ADIR ET COMPAGNIE (FR) 1998-12-29 US disclosed
EP-0820985-A1 Bis imide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-01-28 EP disclosed