SCHEMBL19899426

SCHEMBL19899426

COC(=O)c1c2cccnc2nn1-c1cccc(C#CC2(O)C(=O)N(C)C3CC32)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.66
▸ PKD1 P98161 2/20 0.66

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
SCHEMBL20916168 0.86 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL19912127 0.79 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL20916215 0.79 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL29450144 0.79 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL19912052 0.79 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL19912135 0.79 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL20927177 0.79 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL20916219 0.79 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL29948039 0.79 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL19899700 0.72 MAP3K14 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504206-A1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE H. Hoffnabb-La Roche Ag (CH) 2019-07-03 — — EP disclosed
WO-2018037059-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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