SCHEMBL1736713

SCHEMBL1736713

Cc1c(C)n(Cc2ccc(C(F)(F)F)cc2)c2c(CNc3ccc(F)cc3)nccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
BRD4 O60885 1/20 0.36
MAPT P10636 6/20 0.36
ADRA2A P08913 1/20 0.35
VNN1 O95497 1/20 0.35
ERBB2 P04626 1/20 0.35
TP53 P04637 1/20 0.35
AURKA O14965 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK8 P49336 1/20 0.34

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 SCHEMBL1738283 0.99 PTGDR2 (0.39) PTGDR2BRD4MAPTADRA2AVNN1
SCHEMBL1737584 0.92 MAPT (0.36) MAPTTP53AURKAABL1NTRK1
Hydrochloric Acid SCHEMBL1735391 0.91 MAPT (0.36) MAPTTP53AURKAABL1NTRK1
SCHEMBL1738308 0.90 AURKA (0.44) MAPTTP53AURKAABL1NTRK1
Hydrochloric Acid SCHEMBL1736916 0.89 AURKA (0.43) MAPTTP53AURKAABL1NTRK1
SCHEMBL1738136 0.89 MAPT (0.46) PTGDR2MAPTTP53AURKAABL1
Hydrochloric Acid SCHEMBL1736171 0.88 MAPT (0.46) PTGDR2MAPTTP53AURKAABL1
SCHEMBL1738229 0.88 MAPT (0.46) MAPTTP53GAA
Hydrochloric Acid SCHEMBL1736638 0.87 MAPT (0.45) MAPTTP53GAA
SCHEMBL1737194 0.85 MAPT (0.39) PTGDR2MAPTTP53AURKAABL1

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