SCHEMBL14138670

SCHEMBL14138670

O=C(c1cccc(-c2ccccc2F)c1)N1N=C(c2cccnc2)CC1C1=C(O)CCC=C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 0.53
▸ PKM P14618 1/20 0.44

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
SCHEMBL3592473 0.85 BRAF (0.71) BRAFPKM
SCHEMBL14138849 0.84 BRAF (0.74) BRAFPKM
SCHEMBL14138566 0.81 BRAF (0.73) BRAFPKM
SCHEMBL14138806 0.78 BRAF (0.47) BRAFPKM
SCHEMBL14138556 0.76 BRAF (0.73) BRAFPKM
SCHEMBL14138586 0.75 BRAF (0.51) BRAFPKM
SCHEMBL14138501 0.73 BRAF (0.51) BRAF
SCHEMBL14138564 0.73 BRAF (0.49) BRAFPKM
SCHEMBL14138558 0.73 BRAF (0.62) BRAF
SCHEMBL3592161 0.73 PKM (0.59) BRAFPKM

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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