SCHEMBL546478

SCHEMBL546478

CN(C(=O)O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(OCCN4CCCC4)cc(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.58
RAF1 P04049 13/20 0.58
KDR P35968 7/20 0.46

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
SCHEMBL546082 0.88 BRAF (0.65) BRAFRAF1KDR
SCHEMBL546188 0.88 BRAF (0.70) BRAFRAF1KDR
SCHEMBL545279 0.87 BRAF (0.72) BRAFRAF1KDR
SCHEMBL545800 0.87 BRAF (0.72) BRAFRAF1KDR
SCHEMBL545201 0.86 BRAF (0.64) BRAFRAF1KDR
SCHEMBL546860 0.85 BRAF (0.66) BRAFRAF1KDR
SCHEMBL546534 0.85 BRAF (0.56) BRAFRAF1KDR
SCHEMBL545788 0.84 BRAF (0.76) BRAFRAF1KDR
SCHEMBL546715 0.84 BRAF (0.76) BRAFRAF1KDR
SCHEMBL546254 0.84 BRAF (0.76) 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