SCHEMBL4042387

SCHEMBL4042387

COc1cc(Nc2ncnn3ccc(C)c23)ccc1C

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.70
KDR P35968 5/20 0.70
FLT1 P17948 1/20 0.70
FLT4 P35916 1/20 0.70
ERBB2 P04626 6/20 0.53
AAK1 Q2M2I8 8/20 0.50

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
SCHEMBL4044449 0.82 KDR (1.00) EGFRKDRFLT1FLT4ERBB2
SCHEMBL1220008 0.78 ERBB2 (0.79) EGFRKDRERBB2AAK1
SCHEMBL5511762 0.78 KDR (0.79) EGFRKDR
SCHEMBL5739719 0.77 KDR (0.57) EGFRKDR
SCHEMBL1220196 0.74 EGFR (0.76) EGFRKDRERBB2AAK1
SCHEMBL4047327 0.73 KDR (0.68) EGFRKDRFLT1FLT4
SCHEMBL18879040 0.72 EGFR (0.57) EGFRKDRFLT1FLT4ERBB2
SCHEMBL1461250 0.70 KDR (0.76) EGFRKDRFLT1FLT4
SCHEMBL6100171 0.69 EGFR (0.75) EGFRKDRFLT1FLT4ERBB2
SCHEMBL4047606 0.69 KDR (0.74) EGFRKDRERBB2

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-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed