SCHEMBL5740291

SCHEMBL5740291

COC(=O)c1cn2ncnc(Nc3cccc4ncccc34)c2c1C

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.61
▸ MAPK14 Q16539 10/20 0.58
▸ MAP2K1 Q02750 1/20 0.48

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
SCHEMBL5740841 0.85 MEN1 (0.43) KDRMAPK14
SCHEMBL4047619 0.83 KDR (0.59) KDRMAPK14MAP2K1
SCHEMBL4048067 0.83 KDR (0.69) KDRMAPK14MAP2K1
SCHEMBL4047004 0.77 MAPK14 (0.61) KDRMAPK14MAP2K1
SCHEMBL4045485 0.76 KDR (1.00) KDRMAPK14MAP2K1
SCHEMBL4044574 0.74 KDR (0.58) KDRMAPK14MAP2K1
SCHEMBL7251768 0.74 KDR (0.78) KDRMAPK14MAP2K1
SCHEMBL4053778 0.74 KDR (0.78) KDRMAPK14MAP2K1
SCHEMBL4050078 0.74 KDR (0.72) KDRMAPK14MAP2K1
SCHEMBL4045268 0.74 KDR (0.71) KDRMAPK14MAP2K1

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-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 — — EP claimed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 — — US claimed
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