SCHEMBL4728277

SCHEMBL4728277

Cc1ncc(NC(=O)c2cc(CN3CCNC(=O)C3)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.40
RAF1 P04049 14/20 0.40
BRAF P15056 14/20 0.40
HTR2A P28223 2/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL4726861 0.88 TEK (0.47) TEKRAF1BRAF
SCHEMBL4729086 0.87 CYP2C9 (0.47) TEKRAF1BRAF
SCHEMBL4729370 0.87 ABL1 (0.46) TEKRAF1BRAF
SCHEMBL4728240 0.86 RAF1 (0.49) RAF1BRAF
SCHEMBL4729438 0.79 MEN1 (0.54) RAF1BRAF
SCHEMBL4729210 0.79 TRPV1 (0.42) RAF1BRAF
SCHEMBL4729212 0.78 TRPV1 (0.41) RAF1BRAF
SCHEMBL4729484 0.78 TRPV1 (0.41) RAF1BRAF
SCHEMBL4729516 0.78 RAF1 (0.39) RAF1BRAF
SCHEMBL4726798 0.78 RAF1 (0.42) TEKRAF1BRAF

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