SCHEMBL14548801

SCHEMBL14548801

Cc1cc2cc(Nc3ccnc(CI)n3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.49
SYK P43405 1/20 0.47
EGFR P00533 7/20 0.46
VCP P55072 4/20 0.45
FLT1 P17948 6/20 0.42
KDR P35968 3/20 0.42
MAPKAPK2 P49137 1/20 0.41
CDK1 P06493 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
DOT1L Q8TEK3 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL14045610 0.83 ROCK2 (0.52) ROCK2SYKEGFRVCPFLT1
SCHEMBL849257 0.82 SYK (0.62) ROCK2SYKEGFRKDRCDK1
SCHEMBL879559 0.81 ROCK2 (0.52) ROCK2SYKEGFRVCPFLT1
SCHEMBL14850419 0.77 SYK (0.49) ROCK2SYKEGFRVCPFLT1
SCHEMBL14548767 0.77 IGF1R (0.44) ROCK2EGFRKDRMAPKAPK2CDK1
SCHEMBL4875518 0.77 SYK (0.56) ROCK2SYKEGFRKDRCDK1
SCHEMBL3459130 0.77 AURKA (0.61) ROCK2SYKEGFRKDRCDK1
SCHEMBL4873820 0.76 SYK (0.48) ROCK2SYKEGFRVCPFLT1
SCHEMBL4882766 0.76 KDR (0.66) ROCK2SYKEGFRKDRCDK1
SCHEMBL14024356 0.76 KDR (0.66) ROCK2SYKEGFRKDRCDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 US disclosed