SCHEMBL4728378

SCHEMBL4728378

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1cccc(C(=O)NCC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.47
BRAF P15056 18/20 0.47
TEK Q02763 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
SCHEMBL4726798 0.91 RAF1 (0.42) RAF1BRAFTEK
SCHEMBL4725698 0.89 RAF1 (0.48) RAF1BRAFTEK
SCHEMBL4727508 0.87 RAF1 (0.47) RAF1BRAFTEK
SCHEMBL4782747 0.86 RAF1 (0.46) RAF1BRAFTEK
SCHEMBL4728321 0.85 TEK (0.45) RAF1BRAFTEK
SCHEMBL4727578 0.84 RAF1 (0.41) RAF1BRAFTEK
SCHEMBL4729551 0.84 RAF1 (0.41) RAF1BRAFTEK
SCHEMBL4728339 0.83 RAF1 (0.43) RAF1BRAFTEK
SCHEMBL4731673 0.82 RAF1 (0.41) RAF1BRAFTEK
SCHEMBL4728250 0.81 MAPK14 (0.42) 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