SCHEMBL14452005

SCHEMBL14452005

COC(=O)c1cn2ncnc(C3C(=O)Nc4cc(F)ccc43)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.52
KDR P35968 11/20 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
SCHEMBL4047341 0.93 MAPK14 (0.52) MAPK14KDR
SCHEMBL14452006 0.89 MAPK14 (0.52) MAPK14KDR
SCHEMBL4049401 0.88 KDR (0.47) MAPK14KDR
SCHEMBL4048478 0.87 KDR (0.47) MAPK14KDR
SCHEMBL4052615 0.86 KDR (0.44) MAPK14KDR
SCHEMBL4047091 0.86 KDR (0.44) MAPK14KDR
SCHEMBL4043424 0.83 MAPK14 (0.57) MAPK14KDR
SCHEMBL1459902 0.82 KDR (0.46) MAPK14KDR
SCHEMBL4048222 0.81 KDR (0.43) MAPK14KDR
SCHEMBL14469944 0.80 MAPK14 (0.42) 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
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed