SCHEMBL545510

SCHEMBL545510

CCC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CNC)cc(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.78
RAF1 P04049 13/20 0.78
KDR P35968 7/20 0.54

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
SCHEMBL545760 0.96 BRAF (0.85) BRAFRAF1KDR
SCHEMBL545603 0.94 BRAF (0.76) BRAFRAF1KDR
SCHEMBL546376 0.93 BRAF (0.74) BRAFRAF1KDR
SCHEMBL546052 0.93 BRAF (0.85) BRAFRAF1KDR
SCHEMBL546010 0.92 BRAF (0.90) BRAFRAF1KDR
SCHEMBL545838 0.91 BRAF (0.78) BRAFRAF1KDR
SCHEMBL545499 0.91 BRAF (0.77) BRAFRAF1KDR
SCHEMBL545455 0.90 BRAF (0.82) BRAFRAF1KDR
SCHEMBL545020 0.89 BRAF (0.75) BRAFRAF1KDR
SCHEMBL545412 0.89 BRAF (0.75) 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