SCHEMBL5740297

SCHEMBL5740297

COC(=O)Oc1cn2ncnc(Nc3ccc(Br)cc3F)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.46
▸ EGFR P00533 5/20 0.46
▸ RET P07949 1/20 0.46
▸ KIF5B P33176 1/20 0.46
▸ MAPK14 Q16539 9/20 0.44

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
SCHEMBL4049767 0.84 KDR (0.62) KDRMAPK14
SCHEMBL5740699 0.84 EGFR (0.46) KDREGFRRETKIF5BMAPK14
SCHEMBL5740097 0.80 KDR (0.56) KDREGFRMAPK14
SCHEMBL1459959 0.79 KDR (0.46) KDREGFRRETKIF5BMAPK14
SCHEMBL5738803 0.79 EGFR (0.60) KDREGFR
SCHEMBL5740556 0.78 KDR (0.62) KDREGFRMAPK14
SCHEMBL5738800 0.78 KDR (0.48) KDREGFRRETKIF5BMAPK14
SCHEMBL5741836 0.78 KDR (0.72) KDREGFR
SCHEMBL5740633 0.77 MAPK14 (0.52) MAPK14
SCHEMBL5740103 0.77 KDR (0.59) 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
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