SCHEMBL14138561

SCHEMBL14138561

O=C(c1ccc(-c2ccccc2CO)s1)N1N=C(c2cccnc2)CC1C1CC=CC=C1O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.58
▸ RAF1 P04049 1/20 0.50

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
SCHEMBL14138510 0.91 BRAF (0.55) BRAFRAF1
SCHEMBL14138585 0.82 BRAF (0.59) BRAFRAF1
SCHEMBL3590796 0.81 BRAF (0.85) BRAFRAF1
SCHEMBL14138570 0.74 BRAF (0.66) BRAFRAF1
SCHEMBL14138678 0.73 BRAF (0.41) BRAFRAF1
SCHEMBL3587726 0.73 BRAF (1.00) BRAFRAF1
SCHEMBL14138580 0.73 CACNA1H (0.43) BRAF
SCHEMBL14138869 0.73 BRAF (0.65) BRAFRAF1
SCHEMBL3594949 0.72 BRAF (0.79) BRAFRAF1
SCHEMBL14138684 0.72 BRAF (0.66) BRAFRAF1

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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