SCHEMBL4726033

SCHEMBL4726033

Cc1ncc(NC(=O)c2cc(C#N)cc(N3CCOCC3)c2)cc1-c1ccc(C(=O)N(C)c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 20/20 0.53
BRAF P15056 20/20 0.53

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
SCHEMBL4727305 0.90 RAF1 (0.53) RAF1BRAF
SCHEMBL4727954 0.86 RAF1 (0.49) RAF1BRAF
SCHEMBL4726031 0.85 RAF1 (0.49) RAF1BRAF
SCHEMBL4730137 0.82 RAF1 (0.49) RAF1BRAF
SCHEMBL4726119 0.80 RAF1 (0.53) RAF1BRAF
SCHEMBL4726696 0.80 RAF1 (0.41) RAF1BRAF
SCHEMBL4727584 0.79 RAF1 (0.41) RAF1BRAF
SCHEMBL4727952 0.78 RAF1 (0.49) RAF1BRAF
SCHEMBL4780496 0.77 RAF1 (0.53) RAF1BRAF
SCHEMBL4784013 0.76 NPC1 (0.49) 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