SCHEMBL4779872

SCHEMBL4779872

Cc1ncc(NC(=O)c2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1-c1ccc(C(=O)NCc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
RAF1 P04049 18/20 0.49
BRAF P15056 18/20 0.49
SMO Q99835 1/20 0.48

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
SCHEMBL14292736 0.91 RAF1 (0.50) RAF1BRAF
SCHEMBL4779868 0.84 RAF1 (0.49) MAPK14RAF1BRAF
SCHEMBL4880516 0.81 RAF1 (0.52) MAPK14RAF1BRAF
SCHEMBL14293640 0.80 RAF1 (0.51) MAPK14RAF1BRAF
SCHEMBL4408184 0.79 MAPK14 (0.56) MAPK14RAF1BRAFSMO
SCHEMBL4551884 0.78 MAPK14 (0.64) MAPK14RAF1BRAFSMO
SCHEMBL4726694 0.77 RAF1 (0.41) MAPK14RAF1BRAFSMO
SCHEMBL4551753 0.77 MAPK14 (0.64) MAPK14RAF1BRAFSMO
SCHEMBL4725060 0.77 ALDH1A1 (0.46) MAPK14RAF1BRAF
SCHEMBL4727582 0.77 RAF1 (0.41) MAPK14RAF1BRAFSMO

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