SCHEMBL14138681

SCHEMBL14138681

O=C(c1ccc(C2=CCC(Cl)C=C2)[nH]1)N1N=C(c2cccnc2)CC1c1ccccc1O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 0.73
▸ PKM P14618 1/20 0.54

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
SCHEMBL14138673 0.91 BRAF (0.73) BRAFPKM
SCHEMBL3596264 0.85 BRAF (1.00) BRAFPKM
SCHEMBL3581489 0.82 BRAF (0.88) BRAFPKM
SCHEMBL3597856 0.81 BRAF (0.88) BRAFPKM
SCHEMBL14138598 0.73 BRAF (0.73) BRAFPKM
SCHEMBL3600902 0.73 BRAF (0.79) BRAFPKM
SCHEMBL14138688 0.72 PKM (0.79) BRAFPKM
SCHEMBL14138613 0.71 BRAF (0.65) BRAFPKM
SCHEMBL3581961 0.70 BRAF (0.69) BRAFPKM
SCHEMBL14138690 0.70 BRAF (0.56) 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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