SCHEMBL4725952

SCHEMBL4725952

Cc1cccc(CNC(=O)c2ccc(-c3cc(NC(=O)c4cc(C#N)cc(C(C)(C)C)c4)cnc3C)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.41
BRAF P15056 9/20 0.41
BCHE P06276 1/20 0.40
TEK Q02763 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
EPHX2 P34913 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
SCHEMBL4725060 0.90 ALDH1A1 (0.46) RAF1BRAFBCHETEKTRPV1
SCHEMBL4728324 0.87 EGFR (0.48) RAF1BRAFBCHETEKTRPV1
SCHEMBL4727578 0.86 RAF1 (0.41) RAF1BRAFTEKTRPV1EPHX2
SCHEMBL4726798 0.85 RAF1 (0.42) RAF1BRAFBCHETEKTRPV1
SCHEMBL4726694 0.85 RAF1 (0.41) RAF1BRAFBCHE
SCHEMBL4727582 0.84 RAF1 (0.41) RAF1BRAFBCHE
SCHEMBL4729551 0.84 RAF1 (0.41) RAF1BRAFTEKTRPV1EPHX2
SCHEMBL4729579 0.84 MAPK14 (0.40) RAF1BRAFTRPV1
SCHEMBL4727952 0.83 RAF1 (0.49) RAF1BRAF
SCHEMBL4725947 0.83 TEK (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