SCHEMBL4727468

SCHEMBL4727468

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.47
EPHA3 P29320 1/20 0.47
FRK P42685 1/20 0.47
RAF1 P04049 11/20 0.46
MAPK13 O15264 1/20 0.46
HSPB1 P04792 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
BRAF P15056 8/20 0.46
EGLN1 Q9GZT9 3/20 0.46
NAMPT P43490 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL4729206 0.88 RAF1 (0.47) MAPK14RAF1BRAFEGLN1
SCHEMBL4725920 0.88 EGLN1 (0.48) MAPK14EGLN1NAMPT
SCHEMBL4727464 0.85 RAF1 (0.48) RAF1BRAF
SCHEMBL4726798 0.85 RAF1 (0.42) RAF1BRAF
SCHEMBL4728099 0.84 RAF1 (0.41) MAPK14EPHA3FRKRAF1HSPB1
SCHEMBL4728995 0.84 RAF1 (0.53) RAF1BRAF
SCHEMBL4727578 0.83 RAF1 (0.41) RAF1BRAF
SCHEMBL4729551 0.83 RAF1 (0.41) RAF1BRAF
SCHEMBL4729070 0.83 IKBKB (0.43) MAPK14EPHA3FRKRAF1BRAF
SCHEMBL4727412 0.83 RAF1 (0.43) 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 1 patent. 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