SCHEMBL4727416

SCHEMBL4727416

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N(C)C2(O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.43
BRAF P15056 16/20 0.43
TEK Q02763 1/20 0.40

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
SCHEMBL4725070 0.84 TEK (0.46) RAF1BRAFTEK
SCHEMBL4728341 0.84 RAF1 (0.42) RAF1BRAFTEK
SCHEMBL4727412 0.84 RAF1 (0.43) RAF1BRAFTEK
SCHEMBL4726247 0.83 RAF1 (0.43) RAF1BRAFTEK
SCHEMBL4727464 0.83 RAF1 (0.48) RAF1BRAF
SCHEMBL4725055 0.83 TEK (0.43) RAF1BRAFTEK
SCHEMBL4725947 0.82 TEK (0.43) RAF1BRAFTEK
SCHEMBL4725917 0.82 RAF1 (0.44) RAF1BRAF
SCHEMBL4730010 0.81 RAF1 (0.43) RAF1BRAFTEK
SCHEMBL4728339 0.81 RAF1 (0.43) RAF1BRAFTEK

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