SCHEMBL4730006

SCHEMBL4730006

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.43
BRAF P15056 19/20 0.43
NPC1 O15118 1/20 0.41

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
SCHEMBL4726798 0.88 RAF1 (0.42) RAF1BRAF
SCHEMBL4727842 0.87 RAF1 (0.45) RAF1BRAF
SCHEMBL4727578 0.86 RAF1 (0.41) RAF1BRAF
SCHEMBL4729551 0.86 RAF1 (0.41) RAF1BRAF
SCHEMBL4728339 0.85 RAF1 (0.43) RAF1BRAF
SCHEMBL4728099 0.84 RAF1 (0.41) RAF1BRAF
SCHEMBL4727412 0.83 RAF1 (0.43) RAF1BRAF
SCHEMBL4727147 0.82 MAPK14 (0.48) RAF1BRAFNPC1
SCHEMBL4728324 0.82 EGFR (0.48) RAF1BRAF
SCHEMBL4725070 0.82 TEK (0.46) 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