SCHEMBL14412366

SCHEMBL14412366

CCCNC(=O)c1cn2ncnc(N(C(=O)O)c3cc(C(=O)NC4CC4)ccc3C)c2c1C

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.68
▸ MAPK11 Q15759 2/20 0.68
▸ CYP3A4 P08684 1/20 0.68

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
SCHEMBL13762543 0.93 MAPK14 (0.65) MAPK14MAPK11CYP3A4
SCHEMBL14412679 0.90 MAPK14 (0.62) MAPK14MAPK11CYP3A4
SCHEMBL13755692 0.90 MAPK14 (0.63) MAPK14MAPK11CYP3A4
SCHEMBL13755694 0.90 MAPK14 (0.63) MAPK14MAPK11CYP3A4
SCHEMBL14412393 0.89 MAPK14 (0.57) MAPK14MAPK11CYP3A4
SCHEMBL14417142 0.88 MAPK14 (0.63) MAPK14MAPK11CYP3A4
SCHEMBL13755528 0.88 MAPK14 (0.62) MAPK14MAPK11CYP3A4
SCHEMBL13755510 0.88 MAPK14 (0.62) MAPK14MAPK11CYP3A4
SCHEMBL13755736 0.87 MAPK14 (0.60) MAPK14MAPK11CYP3A4
SCHEMBL13755407 0.87 MAPK14 (0.62) 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
WO-2007103839-A2 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 — — WO disclosed
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