SCHEMBL1737560

SCHEMBL1737560

Cc1c(C)n(CC2CC2)c2c(-c3ccc(F)cc3)nccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MDM2 Q00987 1/20 0.40
SLC34A1 Q06495 9/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MERTK Q12866 2/20 0.38
KDM4C Q9H3R0 1/20 0.37
MAPK10 P53779 2/20 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
Hydrochloric Acid SCHEMBL1737022 0.99 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11MDM2
SCHEMBL1737522 0.90 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11MDM2
Hydrochloric Acid SCHEMBL1737777 0.89 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11MDM2
SCHEMBL1737149 0.88 MERTK (0.38) MAPK14MAPK13MAPK12MAPK11SLC34A1
SCHEMBL1737296 0.88 MERTK (0.38) MAPK14MAPK13MAPK12MAPK11MERTK
Hydrochloric Acid SCHEMBL1736821 0.87 MERTK (0.37) MAPK14MAPK13MAPK12MAPK11SLC34A1
SCHEMBL1737411 0.87 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11CYP1A2
Hydrochloric Acid SCHEMBL1737406 0.86 MERTK (0.38) MAPK14MAPK13MAPK12MAPK11MDM2
SCHEMBL1736299 0.86 MAPK13 (0.35) MAPK14MAPK13MAPK12MAPK11MDM2
Hydrochloric Acid SCHEMBL1735602 0.86 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed