SCHEMBL546216

SCHEMBL546216

CN1CCN(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 18/20 0.78
KDR P35968 9/20 0.78
RAF1 P04049 11/20 0.77

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
SCHEMBL545664 0.96 BRAF (0.79) BRAFKDRRAF1
SCHEMBL546267 0.95 BRAF (0.78) BRAFKDRRAF1
SCHEMBL545240 0.94 BRAF (0.80) BRAFKDRRAF1
SCHEMBL546047 0.91 BRAF (0.72) BRAFKDRRAF1
SCHEMBL5428337 0.91 BRAF (0.78) BRAFKDRRAF1
SCHEMBL545213 0.91 BRAF (0.80) BRAFKDRRAF1
SCHEMBL545064 0.91 BRAF (0.76) BRAFKDRRAF1
SCHEMBL545371 0.91 BRAF (0.80) BRAFKDRRAF1
SCHEMBL545761 0.91 BRAF (0.76) BRAFKDRRAF1
SCHEMBL545925 0.91 BRAF (0.80) BRAFKDRRAF1

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