SCHEMBL1738136

SCHEMBL1738136

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KCNH3 Q9ULD8 1/20 0.40
TP53 P04637 3/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
P2RX3 P56373 1/20 0.36
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
CDK8 P49336 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 SCHEMBL1736171 0.99 MAPT (0.46) MAPTKCNH3TP53POLBALDH1A1
SCHEMBL1738308 0.93 AURKA (0.44) MAPTKCNH3TP53ALDH1A1HTT
Hydrochloric Acid SCHEMBL1736916 0.92 AURKA (0.43) MAPTKCNH3TP53ALDH1A1HTT
SCHEMBL1738229 0.90 MAPT (0.46) MAPTKCNH3TP53POLBALDH1A1
SCHEMBL1737194 0.90 MAPT (0.39) MAPTTP53AURKAABL1NTRK1
Hydrochloric Acid SCHEMBL1736638 0.89 MAPT (0.45) MAPTKCNH3TP53POLBALDH1A1
Hydrochloric Acid SCHEMBL1736135 0.89 MAPT (0.39) MAPTKCNH3TP53AURKAABL1
SCHEMBL1736713 0.89 PTGDR2 (0.40) MAPTTP53AURKAABL1NTRK1
SCHEMBL1737584 0.89 MAPT (0.36) MAPTTP53POLBALDH1A1HTT
Hydrochloric Acid SCHEMBL1738283 0.88 PTGDR2 (0.39) MAPTKCNH3TP53AURKAABL1

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