SCHEMBL545201

SCHEMBL545201

CC(C)(C)C(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(OCCN4CCCC4)cc(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.64
RAF1 P04049 12/20 0.64
KDR P35968 8/20 0.51

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
SCHEMBL546188 0.94 BRAF (0.70) BRAFRAF1KDR
SCHEMBL545279 0.93 BRAF (0.72) BRAFRAF1KDR
SCHEMBL546082 0.93 BRAF (0.65) BRAFRAF1KDR
SCHEMBL546860 0.91 BRAF (0.66) BRAFRAF1KDR
SCHEMBL545800 0.87 BRAF (0.72) BRAFRAF1KDR
SCHEMBL546478 0.86 BRAF (0.58) BRAFRAF1KDR
SCHEMBL546534 0.85 BRAF (0.56) BRAFRAF1KDR
SCHEMBL544441 0.85 BRAF (0.54) BRAFRAF1KDR
SCHEMBL545476 0.83 BRAF (0.53) BRAFRAF1KDR
SCHEMBL545240 0.83 BRAF (0.80) 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