SCHEMBL15548882

SCHEMBL15548882

Cc1ccc2c(c1C)c(=O)n(CC1CCCCC1C(=O)O)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 20/20 0.76
▸ TNKS2 Q9H2K2 20/20 0.76
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64

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
SCHEMBL15546933 0.92 TNKS (0.75) TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15548393 0.88 TNKS (0.76) TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15547623 0.86 TNKS (0.60) TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15534483 0.86 TNKS (1.00) TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15534480 0.86 TNKS (1.00) TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15548434 0.83 TNKS (0.58) TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15547108 0.81 TNKS (0.84) TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15547106 0.81 TNKS (0.84) TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15547973 0.79 TNKS (1.00) TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15547974 0.79 TNKS (1.00) TNKSTNKS2CYP2C9CYP2C19

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-2013177349-A2 QUINAZOLINEDIONES AS TANKYRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 — — WO disclosed
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