SCHEMBL545691

SCHEMBL545691

CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CN4CCN(C)CC4)cc(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.80
RAF1 P04049 13/20 0.80
KDR P35968 4/20 0.62
MAPK14 Q16539 2/20 0.56
SRC P12931 1/20 0.53

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
SCHEMBL545460 0.95 BRAF (0.81) BRAFRAF1KDRMAPK14SRC
SCHEMBL546216 0.90 BRAF (0.78) BRAFRAF1KDR
SCHEMBL545729 0.89 BRAF (0.86) BRAFRAF1KDRMAPK14SRC
SCHEMBL545438 0.89 BRAF (1.00) BRAFRAF1KDRMAPK14SRC
SCHEMBL545490 0.89 BRAF (1.00) BRAFRAF1KDRMAPK14SRC
SCHEMBL546019 0.89 BRAF (1.00) BRAFRAF1KDRMAPK14SRC
SCHEMBL545664 0.88 BRAF (0.79) BRAFRAF1KDR
SCHEMBL545807 0.88 BRAF (0.75) BRAFRAF1KDRMAPK14SRC
SCHEMBL544442 0.87 BRAF (0.89) BRAFRAF1KDRMAPK14SRC
SCHEMBL545782 0.87 BRAF (0.77) BRAFRAF1KDRMAPK14SRC

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