SCHEMBL5740525

SCHEMBL5740525

COC(=O)Oc1cn2ncnc(N(C)c3ccc(C)c(O)c3)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.44
EGFR P00533 3/20 0.41
MAPK14 Q16539 3/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35

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
SCHEMBL4051304 0.84 KDR (0.63) KDRMAPK14
SCHEMBL14469936 0.82 KDR (0.43) KDREGFRMAPK14FLT1FLT4
SCHEMBL5739951 0.78 KDR (0.71) KDREGFRFLT1FLT4
SCHEMBL4048119 0.75 KDR (0.52) KDRMAPK14
SCHEMBL5740103 0.71 KDR (0.59) KDREGFRMAPK14
SCHEMBL5739861 0.71 KDR (0.59) KDREGFRFLT1FLT4
SCHEMBL5740927 0.71 KDR (0.56) KDREGFRMAPK14
SCHEMBL5739719 0.70 KDR (0.57) KDREGFRMAPK14
SCHEMBL5740097 0.69 KDR (0.56) KDREGFRMAPK14
SCHEMBL5730197 0.69 KDR (0.56) KDREGFRMAPK14

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
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed