SCHEMBL25329580

SCHEMBL25329580

O=C(O)N1CCCC(N2CC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)C1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 16/20 0.68
▸ MAPK9 P45984 16/20 0.68
▸ CDK2 P24941 15/20 0.68
▸ JUN P05412 15/20 0.68
▸ MAPK10 P53779 11/20 0.68
▸ CCNK O75909 4/20 0.65
▸ CDK12 Q9NYV4 4/20 0.65
▸ CCNT1 O60563 3/20 0.65
▸ CDK9 P50750 3/20 0.65
▸ CCNE1 P24864 1/20 0.65
▸ CDK7 P50613 3/20 0.62
▸ CCNH P51946 3/20 0.62
▸ MNAT1 P51948 3/20 0.62
▸ CCNA2 P20248 1/20 0.59
▸ CDK13 Q14004 1/20 0.59

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
SCHEMBL25329584 1.00 MAPK8 (0.68) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL25328942 0.91 MAPK8 (0.70) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL25328939 0.91 MAPK8 (0.70) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039619 0.89 MAPK8 (0.80) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL20416104 0.87 CDK2 (0.65) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL25328514 0.85 CDK2 (0.61) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL17140994 0.84 MAPK8 (0.74) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL25328949 0.84 CCNK (0.75) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL25328906 0.83 CDK2 (0.68) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL25328902 0.83 CDK2 (0.68) MAPK8MAPK9CDK2JUNMAPK10

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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