SCHEMBL5740097

SCHEMBL5740097

COC(=O)Oc1cn2ncnc(Nc3ccc(C)c(F)c3)c2c1C

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.56
EGFR P00533 2/20 0.53
MAPK14 Q16539 4/20 0.47
ERBB2 P04626 1/20 0.46

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
SCHEMBL5740103 0.91 KDR (0.59) KDREGFRMAPK14
SCHEMBL5739719 0.89 KDR (0.57) KDREGFRMAPK14
SCHEMBL5739951 0.89 KDR (0.71) KDREGFR
SCHEMBL5738803 0.88 EGFR (0.60) KDREGFRERBB2
SCHEMBL5740927 0.88 KDR (0.56) KDREGFRMAPK14
SCHEMBL5740556 0.86 KDR (0.62) KDREGFRMAPK14
SCHEMBL5740776 0.86 KDR (0.53) KDREGFRMAPK14
SCHEMBL5730197 0.85 KDR (0.56) KDREGFRMAPK14
SCHEMBL5740640 0.85 KDR (0.54) KDREGFRMAPK14
SCHEMBL5740584 0.85 KDR (0.53) 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