SCHEMBL25329833

SCHEMBL25329833

CC(C)(C)OC(=O)N1CCC(N2CC[C@@H](Nc3ncc(C(F)(F)F)c(-c4c[nH]c5ncccc45)n3)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 16/20 0.51
▸ CDK12 Q9NYV4 15/20 0.51
▸ CDK7 P50613 8/20 0.51
▸ CCNH P51946 8/20 0.51
▸ MNAT1 P51948 7/20 0.51
▸ CDK2 P24941 13/20 0.48
▸ CCNE1 P24864 11/20 0.48
▸ CCNT1 O60563 8/20 0.47
▸ CDK9 P50750 8/20 0.47
▸ MAPK8 P45983 2/20 0.46
▸ MAPK9 P45984 2/20 0.46
▸ MAPK10 P53779 2/20 0.46
▸ CCNA2 P20248 1/20 0.44
▸ CDK13 Q14004 1/20 0.44
▸ JUN P05412 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
SCHEMBL21188533 0.88 CDK2 (0.53) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL29083554 0.88 CDK2 (0.53) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL29749300 0.88 CDK2 (0.53) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25329315 0.86 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25331384 0.86 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25328993 0.83 CDK2 (0.64) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25328988 0.83 CDK2 (0.64) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25329237 0.83 MAPK8 (0.60) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL31006791 0.83 MAPK8 (0.60) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25329239 0.83 MAPK8 (0.60) CCNKCDK12CDK7CCNHMNAT1

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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