SCHEMBL14138558

SCHEMBL14138558

O=C(c1ccc(-c2cccs2)s1)N1N=C(c2cccnc2)CC1C1=C(O)CCC=C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.62
▸ RAF1 P04049 1/20 0.57

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
SCHEMBL14138592 0.87 BRAF (0.75) BRAFRAF1
SCHEMBL14138811 0.85 BRAF (0.54) BRAFRAF1
SCHEMBL3597880 0.85 BRAF (0.86) BRAFRAF1
SCHEMBL14138501 0.83 BRAF (0.51) BRAFRAF1
SCHEMBL14138564 0.79 BRAF (0.49) BRAF
SCHEMBL14138586 0.78 BRAF (0.51) BRAF
SCHEMBL3599869 0.77 BRAF (1.00) BRAFRAF1
SCHEMBL14138806 0.76 BRAF (0.47) BRAF
SCHEMBL3590672 0.76 BRAF (0.93) BRAFRAF1
SCHEMBL14138556 0.76 BRAF (0.73) BRAF

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
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 — — WO disclosed
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