SCHEMBL547446

SCHEMBL547446

O=C(Nc1ccc(CN2CC[C@H](O)C2)c(C(F)(F)F)c1)C1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.60
RAF1 P04049 8/20 0.60
KDR P35968 11/20 0.51
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48

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
SCHEMBL545580 0.87 BRAF (0.63) BRAFRAF1KDRABL1BCR
SCHEMBL546225 0.86 BRAF (0.62) BRAFRAF1KDRABL1BCR
SCHEMBL545001 0.86 BRAF (0.75) BRAFRAF1KDR
SCHEMBL544983 0.85 BRAF (0.61) BRAFRAF1KDRABL1BCR
SCHEMBL545906 0.82 BRAF (0.68) BRAFRAF1KDR
SCHEMBL545722 0.82 BRAF (0.76) BRAFRAF1KDR
SCHEMBL5428348 0.81 BRAF (0.77) BRAFRAF1KDR
SCHEMBL545994 0.81 BRAF (0.68) BRAFRAF1KDR
SCHEMBL545615 0.81 BRAF (0.81) BRAFRAF1KDRABL1BCR
SCHEMBL545829 0.80 RAF1 (0.58) BRAFRAF1KDRABL1BCR

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