SCHEMBL19914939

SCHEMBL19914939

COC(=O)c1cccc(-c2cccc(C#CC3(O)C(=O)N(C)CC3C)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.54
▸ PKD1 P98161 1/20 0.47

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
SCHEMBL19915335 0.90 MAP3K14 (0.67) MAP3K14PKD1
SCHEMBL19899700 0.83 MAP3K14 (0.51) MAP3K14PKD1
SCHEMBL22744488 0.76 MAP3K14 (0.45) MAP3K14PKD1
SCHEMBL22715022 0.76 MAP3K14 (0.45) MAP3K14PKD1
SCHEMBL22715474 0.76 MAP3K14 (0.45) MAP3K14PKD1
SCHEMBL22716310 0.76 MAP3K14 (0.45) MAP3K14PKD1
SCHEMBL22715476 0.76 MAP3K14 (0.45) MAP3K14PKD1
SCHEMBL22715021 0.76 MAP3K14 (0.45) MAP3K14PKD1
SCHEMBL22715612 0.76 MAP3K14 (0.45) MAP3K14PKD1
SCHEMBL29439438 0.76 MAP3K14 (0.45) MAP3K14PKD1

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-2018037058-A1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 — — WO disclosed
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