SCHEMBL4729072

SCHEMBL4729072

CCN1CCC[C@H]1N(C)C(=O)c1ccc(-c2cc(NC(=O)c3cc(C#N)cc(C(C)(C)C)c3)cnc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.43
BRAF P15056 17/20 0.43
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL4728096 0.89 RAF1 (0.42) RAF1BRAF
SCHEMBL4730515 0.86 RAF1 (0.39) RAF1BRAF
SCHEMBL4729070 0.85 IKBKB (0.43) RAF1BRAFEGLN1
SCHEMBL4725917 0.83 RAF1 (0.44) RAF1BRAF
SCHEMBL4727464 0.83 RAF1 (0.48) RAF1BRAF
SCHEMBL4880522 0.82 RAF1 (0.52) RAF1BRAF
SCHEMBL4730010 0.80 RAF1 (0.43) RAF1BRAF
SCHEMBL4727416 0.79 RAF1 (0.43) RAF1BRAF
SCHEMBL4727842 0.79 RAF1 (0.45) RAF1BRAF
SCHEMBL4730781 0.79 RAF1 (0.38) 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