SCHEMBL1737522

SCHEMBL1737522

Cc1ccc(-c2nccc3c(C)c(C)n(CC4CC4)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.45
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
KDM1A O60341 4/20 0.36
MCL1 Q07820 1/20 0.35
CNR1 P21554 1/20 0.34
PTGIR P43119 1/20 0.34
SLC34A1 Q06495 1/20 0.33
CACNA1B Q00975 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPT P10636 1/20 0.33
MERTK Q12866 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TNK2 Q07912 1/20 0.32

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 SCHEMBL1737777 0.99 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KDM1A
SCHEMBL1739128 0.95 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11KDM1A
Hydrochloric Acid SCHEMBL1736149 0.94 MAPK13 (0.40) MAPK14MAPK13MAPK12MAPK11KDM1A
SCHEMBL1737560 0.90 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11SLC34A1
SCHEMBL1737149 0.90 MERTK (0.38) MAPK14MAPK13MAPK12MAPK11SLC34A1
SCHEMBL1737296 0.90 MERTK (0.38) MAPK14MAPK13MAPK12MAPK11MAPT
Hydrochloric Acid SCHEMBL1736821 0.89 MERTK (0.37) MAPK14MAPK13MAPK12MAPK11SLC34A1
Hydrochloric Acid SCHEMBL1737022 0.89 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11SLC34A1
Hydrochloric Acid SCHEMBL1737406 0.89 MERTK (0.38) MAPK14MAPK13MAPK12MAPK11MERTK
SCHEMBL1736299 0.88 MAPK13 (0.35) MAPK14MAPK13MAPK12MAPK11SLC34A1

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