SCHEMBL26270378

SCHEMBL26270378

COc1nc(N)nc2c1ccn2-c1cccc(C#CC2(O)CCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 17/20 0.57
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39

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
SCHEMBL26270381 0.87 MAP3K14 (0.51) MAP3K14ADORA2AADORA2BADORA1
SCHEMBL26268167 0.79 MAP3K14 (0.71) MAP3K14ADORA2AADORA2BADORA1
SCHEMBL26268355 0.77 MAP3K14 (0.71) MAP3K14ADORA2AADORA2BADORA1
SCHEMBL26268315 0.74 MAP3K14 (0.56) MAP3K14ADORA2AADORA2BADORA1
SCHEMBL30219530 0.74 MAP3K14 (0.52) MAP3K14
SCHEMBL26268328 0.73 MAP3K14 (0.48) MAP3K14ADORA2AADORA2BADORA1
SCHEMBL30219623 0.73 MAP3K14 (1.00) MAP3K14
SCHEMBL28986260 0.73 MAP3K14 (1.00) MAP3K14
SCHEMBL25400343 0.72 MAP3K14 (0.56) MAP3K14ADORA2AADORA2BADORA1
SCHEMBL1613155 0.67 PAK4 (0.53) MAP3K14

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-2023177351-A1 NF ҚB INDUCING KINASE INHIBITORS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-09-21 — — WO disclosed
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