SCHEMBL545839

SCHEMBL545839

CN(Cc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cccc(C(C)(C)C)c2)CC3)ccn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.55
RAF1 P04049 14/20 0.55
KDR P35968 3/20 0.42

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
SCHEMBL545181 0.88 BRAF (0.59) BRAFRAF1KDR
SCHEMBL545582 0.88 BRAF (0.52) BRAFRAF1KDR
SCHEMBL546907 0.87 BRAF (0.54) BRAFRAF1KDR
SCHEMBL545294 0.87 BRAF (0.56) BRAFRAF1KDR
SCHEMBL546326 0.86 BRAF (0.55) BRAFRAF1KDR
SCHEMBL545719 0.86 BRAF (0.56) BRAFRAF1KDR
SCHEMBL545573 0.84 BRAF (0.55) BRAFRAF1KDR
SCHEMBL545996 0.84 BRAF (0.60) BRAFRAF1KDR
SCHEMBL545931 0.84 BRAF (0.53) BRAFRAF1KDR
SCHEMBL545394 0.84 BRAF (0.56) 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