SCHEMBL3583742

SCHEMBL3583742

CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)s2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 0.62
▸ RAF1 P04049 1/20 0.58
▸ PKM P14618 1/20 0.53

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
SCHEMBL3590059 0.88 BRAF (0.76) BRAFRAF1PKM
SCHEMBL3599869 0.78 BRAF (1.00) BRAFRAF1PKM
SCHEMBL3597847 0.77 BRAF (1.00) BRAFRAF1
SCHEMBL3599320 0.76 BRAF (0.96) BRAFRAF1
SCHEMBL3590672 0.75 BRAF (0.93) BRAFRAF1
SCHEMBL3601306 0.75 BRAF (0.93) BRAFRAF1PKM
SCHEMBL3594240 0.75 BRAF (0.84) BRAFRAF1
SCHEMBL3587726 0.75 BRAF (1.00) BRAFRAF1
SCHEMBL3594954 0.75 BRAF (0.77) BRAFRAF1
SCHEMBL3593241 0.74 BRAF (1.00) BRAFRAF1PKM

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
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 — — US claimed
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