SCHEMBL25330394

SCHEMBL25330394

CC(C)(C)OC(=O)N1CCC(Nc2ncc(Cl)c(-c3cn[nH]c3)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.52
▸ MAPK8 P45983 11/20 0.49
▸ MAPK9 P45984 11/20 0.49
▸ JUN P05412 10/20 0.49
▸ CDK2 P24941 10/20 0.49
▸ MAPK10 P53779 8/20 0.49
▸ GPR119 Q8TDV5 1/20 0.49
▸ USP30 Q70CQ3 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ MAPK1 P28482 3/20 0.45
▸ CCNK O75909 1/20 0.44
▸ CDK12 Q9NYV4 1/20 0.44

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
SCHEMBL25330388 1.00 JAK1 (0.52) JAK1MAPK8MAPK9JUNCDK2
SCHEMBL22895533 0.83 USP30 (0.52) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL28552023 0.83 USP30 (0.52) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL23292274 0.83 USP30 (0.52) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL23292333 0.83 CDK12 (0.56) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL22895770 0.83 CDK12 (0.56) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL28544916 0.83 CDK12 (0.56) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL22900783 0.82 JAK1 (0.54) JAK1MAPK8MAPK9CDK2MAPK10
SCHEMBL29926869 0.82 JAK1 (0.54) JAK1MAPK8MAPK9CDK2MAPK10
SCHEMBL23292466 0.82 USP30 (0.50) MAPK8MAPK9JUNCDK2MAPK10

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-2023143482-A1 2-AMINOPYRIMIDINE COMPOUND OR SALT, PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-08-03 — — WO disclosed
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