SCHEMBL546267

SCHEMBL546267

CCN1CCN(Cc2cc(NC(=O)C3CCc4ccc(Oc5ccnc(NC(=O)C6CC6)c5)cc4C3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.78
RAF1 P04049 11/20 0.78
KDR P35968 9/20 0.70

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
SCHEMBL5428337 0.96 BRAF (0.78) BRAFRAF1KDR
SCHEMBL546216 0.95 BRAF (0.78) BRAFRAF1KDR
SCHEMBL545240 0.94 BRAF (0.80) BRAFRAF1KDR
SCHEMBL546047 0.92 BRAF (0.72) BRAFRAF1KDR
SCHEMBL545664 0.91 BRAF (0.79) BRAFRAF1KDR
SCHEMBL545213 0.90 BRAF (0.80) BRAFRAF1KDR
SCHEMBL545371 0.90 BRAF (0.80) BRAFRAF1KDR
SCHEMBL545064 0.90 BRAF (0.76) BRAFRAF1KDR
SCHEMBL545925 0.90 BRAF (0.80) BRAFRAF1KDR
SCHEMBL545761 0.90 BRAF (0.76) BRAFRAF1KDR

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
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US claimed