SCHEMBL1738308

SCHEMBL1738308

Cc1ccc(Cn2c(C)c(C)c3ccnc(CNc4ccc(F)cc4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
LCK P06239 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44
PIM1 P11309 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK8 P45983 1/20 0.44
CDK8 P49336 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MAP4K2 Q12851 1/20 0.44
ROCK1 Q13464 1/20 0.44
NTRK3 Q16288 1/20 0.44
MAPK14 Q16539 1/20 0.44
AURKB Q96GD4 1/20 0.44
KCNH3 Q9ULD8 1/20 0.40

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 SCHEMBL1736916 0.99 AURKA (0.43) AURKAABL1NTRK1LCKCSF1R
SCHEMBL1738136 0.93 MAPT (0.46) AURKAABL1NTRK1LCKCSF1R
Hydrochloric Acid SCHEMBL1736171 0.92 MAPT (0.46) AURKAABL1NTRK1LCKCSF1R
SCHEMBL1738229 0.91 MAPT (0.46) KCNH3MAPTTP53GAAMCL1
Hydrochloric Acid SCHEMBL1736638 0.90 MAPT (0.45) KCNH3MAPTTP53GAAMCL1
SCHEMBL1736713 0.90 PTGDR2 (0.40) AURKAABL1NTRK1LCKCSF1R
SCHEMBL1737584 0.90 MAPT (0.36) AURKAABL1NTRK1LCKCSF1R
Hydrochloric Acid SCHEMBL1738283 0.89 PTGDR2 (0.39) AURKAABL1NTRK1LCKCSF1R
SCHEMBL1737194 0.89 MAPT (0.39) AURKAABL1NTRK1LCKCSF1R
Hydrochloric Acid SCHEMBL1735391 0.89 MAPT (0.36) AURKAABL1NTRK1LCKCSF1R

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