SCHEMBL4236835

SCHEMBL4236835

COc1ccc(C2(C#N)CCc3n[nH]cc3C2)c2cc[nH]c12.Cn1ccc2c(C3(C#N)CCc4n[nH]cc4C3)cccc21.N#CC1(c2cccc3[nH]ccc23)CCc2n[nH]cc2C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.30
▸ PRKCD Q05655 1/20 0.30

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
SCHEMBL4229923 0.85 — —
SCHEMBL4228415 0.84 MAP4K1 (0.31) —
SCHEMBL4234336 0.81 — —
SCHEMBL4235315 0.79 PDE4A (0.31) —
SCHEMBL4062215 0.72 KDR (0.34) PRKCQPRKCD
SCHEMBL4053970 0.67 KDM4E (0.31) —
SCHEMBL4235159 0.67 HTR6 (0.34) —
SCHEMBL4233727 0.67 KDR (0.30) —
SCHEMBL4230852 0.66 PDE4A (0.45) —
SCHEMBL4016579 0.65 MAOA (0.33) —

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-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO claimed
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