SCHEMBL10267992

SCHEMBL10267992

CC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2ccc(Cl)c(CF)c2)OC3)ccn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.46
RAF1 P04049 6/20 0.46
KDR P35968 9/20 0.43
MAPK14 Q16539 2/20 0.43
P2RX3 P56373 3/20 0.41

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
SCHEMBL545894 0.88 BRAF (0.58) BRAFRAF1KDRMAPK14
SCHEMBL10263595 0.85 BRAF (0.63) BRAFRAF1KDRMAPK14
SCHEMBL545430 0.80 BRAF (0.54) BRAFRAF1KDRMAPK14
SCHEMBL545934 0.75 RAF1 (0.75) BRAFRAF1KDRMAPK14
SCHEMBL10263025 0.75 MEN1 (0.44) BRAFKDRMAPK14
SCHEMBL10262734 0.74 P2RX3 (0.44) BRAFRAF1KDRMAPK14P2RX3
SCHEMBL546516 0.73 BRAF (0.62) BRAFRAF1KDR
SCHEMBL5422515 0.73 BRAF (0.60) BRAFRAF1KDR
SCHEMBL545333 0.73 BRAF (0.54) BRAFRAF1KDRMAPK14
SCHEMBL10268161 0.73 BRAF (0.42) BRAFRAF1KDRMAPK14P2RX3

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 disclosed