SCHEMBL26268167

SCHEMBL26268167

Nc1ncc2ccn(-c3cccc(C#CC4(O)CCC4)c3)c2n1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 16/20 0.71
▸ MAPKAPK2 P49137 1/20 0.43
▸ PAK4 O96013 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PTK2 Q05397 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
SCHEMBL26268355 0.98 MAP3K14 (0.71) MAP3K14MAPKAPK2PAK4ADORA2AADORA2B
SCHEMBL26268320 0.83 MAP3K14 (1.00) MAP3K14MAPKAPK2
SCHEMBL30219597 0.83 MAP3K14 (1.00) MAP3K14MAPKAPK2
SCHEMBL26268315 0.82 MAP3K14 (0.56) MAP3K14PAK4ADORA2AADORA2BADORA1
SCHEMBL26270381 0.82 MAP3K14 (0.51) MAP3K14ADORA2AADORA2BADORA1
SCHEMBL30219583 0.81 MAP3K14 (1.00) MAP3K14MAPKAPK2
SCHEMBL28986323 0.81 MAP3K14 (1.00) MAP3K14MAPKAPK2
SCHEMBL26268435 0.81 MAP3K14 (0.75) MAP3K14
SCHEMBL26269507 0.81 MAP3K14 (0.75) MAP3K14
SCHEMBL26268328 0.81 MAP3K14 (0.48) MAP3K14PAK4ADORA2AADORA2BADORA1

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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