SCHEMBL4729206

SCHEMBL4729206

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NC2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.47
BRAF P15056 14/20 0.47
MAPK14 Q16539 1/20 0.47
EGLN1 Q9GZT9 2/20 0.45

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
SCHEMBL4727147 0.92 MAPK14 (0.48) RAF1BRAFMAPK14EGLN1
SCHEMBL4727468 0.88 MAPK14 (0.47) RAF1BRAFMAPK14EGLN1
SCHEMBL4727464 0.87 RAF1 (0.48) RAF1BRAF
SCHEMBL4728995 0.86 RAF1 (0.53) RAF1BRAF
SCHEMBL4726220 0.84 RAF1 (0.41) RAF1BRAFMAPK14
SCHEMBL4725070 0.84 TEK (0.46) RAF1BRAF
SCHEMBL4730967 0.83 RAF1 (0.44) RAF1BRAFMAPK14EGLN1
SCHEMBL4725881 0.82 RAF1 (0.42) RAF1BRAF
SCHEMBL4725920 0.82 EGLN1 (0.48) MAPK14EGLN1
SCHEMBL4725917 0.82 RAF1 (0.44) RAF1BRAF

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed