SCHEMBL1738879

SCHEMBL1738879

CSc1ccc(-c2nccc3c(C)c(C)n(Cc4ccc(F)cc4)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
MAPK14 Q16539 7/20 0.42
MAPK13 O15264 6/20 0.42
MAPK12 P53778 6/20 0.42
MAPK11 Q15759 6/20 0.42
GCGR P47871 4/20 0.40
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
ALOX5 P09917 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MATK P42679 1/20 0.36
FRK P42685 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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 SCHEMBL1735513 0.99 MCL1 (0.42) MCL1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1738892 0.92 MCL1 (0.48) MCL1MAPK1LMNARAB9ACLK1
SCHEMBL1737492 0.91 RAB9A (0.44) MCL1MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL1735775 0.91 MCL1 (0.47) MCL1MAPK1LMNARAB9ACLK1
SCHEMBL1739417 0.90 MAPT (0.39) MCL1MAPK1NPC1LMNATSHR
Hydrochloric Acid SCHEMBL1736491 0.90 RAB9A (0.44) MCL1MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL1737358 0.89 NR1I3 (0.39) MCL1MAPK1NPC1LMNATSHR
SCHEMBL1737338 0.89 FABP4 (0.44) MCL1MAPK1NPC1LMNATSHR
SCHEMBL1739805 0.89 MCL1 (0.46) MCL1MAPK1LMNARAB9ACLK1
SCHEMBL1737438 0.89 MCL1 (0.46) MCL1MAPK1LMNARAB9ACLK1

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