SCHEMBL14138556

SCHEMBL14138556

O=C(c1ccc(-c2ccccc2)o1)N1N=C(c2cccnc2)CC1C1=C(O)CCC=C1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 0.73
▸ PKM P14618 1/20 0.46

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
SCHEMBL14138862 0.93 BRAF (0.63) BRAFPKM
SCHEMBL3587339 0.84 BRAF (1.00) BRAFPKM
SCHEMBL14138810 0.82 BRAF (0.49) BRAFPKM
SCHEMBL14138667 0.81 BRAF (0.74) BRAFPKM
SCHEMBL14138507 0.81 BRAF (0.49) BRAFPKM
SCHEMBL14138586 0.81 BRAF (0.51) BRAFPKM
SCHEMBL14138867 0.79 BRAF (0.61) BRAFPKM
SCHEMBL3589604 0.79 BRAF (0.88) BRAFPKM
SCHEMBL3585748 0.79 BRAF (1.00) BRAFPKM
SCHEMBL14138574 0.79 BRAF (0.48) 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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