SCHEMBL546715

SCHEMBL546715

CN(C(=O)O)c1cc(Oc2ccc3c(c2)C[C@H](C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.76
RAF1 P04049 13/20 0.76
KDR P35968 6/20 0.46
KCNH2 Q12809 1/20 0.44

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
SCHEMBL545788 1.00 BRAF (0.76) BRAFRAF1KDRKCNH2
SCHEMBL546254 1.00 BRAF (0.76) BRAFRAF1KDRKCNH2
SCHEMBL546678 0.92 BRAF (0.75) BRAFRAF1KDRKCNH2
SCHEMBL545618 0.89 BRAF (0.74) BRAFRAF1KDRKCNH2
SCHEMBL547757 0.87 BRAF (0.84) BRAFRAF1KDRKCNH2
SCHEMBL545063 0.87 BRAF (0.91) BRAFRAF1KDR
SCHEMBL5432719 0.87 BRAF (0.91) BRAFRAF1KDR
SCHEMBL545508 0.87 BRAF (0.91) BRAFRAF1KDR
SCHEMBL546550 0.86 BRAF (1.00) BRAFRAF1KDR
SCHEMBL545032 0.86 BRAF (1.00) 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