SCHEMBL5741657

SCHEMBL5741657

COC(=O)Oc1cn2ncnc(Nc3ccccc3S(N)(=O)=O)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.44
▸ KDR P35968 4/20 0.42

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
SCHEMBL4047004 0.84 MAPK14 (0.61) MAPK14KDR
SCHEMBL5738800 0.84 KDR (0.48) MAPK14KDR
SCHEMBL5730197 0.84 KDR (0.56) MAPK14KDR
SCHEMBL5740240 0.81 KDR (0.53) MAPK14KDR
SCHEMBL5740841 0.78 MEN1 (0.43) MAPK14KDR
SCHEMBL5739102 0.77 KDR (0.51) KDR
SCHEMBL5738412 0.77 MAPK14 (0.51) MAPK14KDR
SCHEMBL5739048 0.77 MAP2K1 (0.66) KDR
SCHEMBL5741065 0.76 KDR (0.50) MAPK14KDR
SCHEMBL5740244 0.76 KDR (0.54) MAPK14KDR

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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