SCHEMBL14627032

SCHEMBL14627032

CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NN4C(C)=CCC4C)ccc3C)c2c1C

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.75
▸ MAPK11 Q15759 3/20 0.72
▸ CYP3A4 P08684 1/20 0.72

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
SCHEMBL14627175 0.90 MAPK14 (0.62) MAPK14MAPK11
Bms-582949 SCHEMBL254996 0.84 MAPK14 (1.00) MAPK14MAPK11CYP3A4
SCHEMBL12729613 0.84 MAPK14 (0.85) MAPK14MAPK11CYP3A4
Bms-582949 SCHEMBL29554701 0.84 MAPK14 (1.00) MAPK14MAPK11CYP3A4
SCHEMBL12728790 0.83 MAPK14 (0.89) MAPK14MAPK11CYP3A4
SCHEMBL12779364 0.81 MAPK14 (0.86) MAPK14MAPK11CYP3A4
SCHEMBL4412457 0.81 MAPK14 (1.00) MAPK14MAPK11CYP3A4
SCHEMBL12729567 0.81 MAPK14 (0.84) MAPK14MAPK11CYP3A4
SCHEMBL12779371 0.80 MAPK14 (0.83) MAPK14MAPK11CYP3A4
SCHEMBL12729693 0.80 MAPK14 (0.77) MAPK14MAPK11CYP3A4

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-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 — — US disclosed
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