SCHEMBL25328316

SCHEMBL25328316

Clc1cnc(NC2CCNC2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.89
▸ CDK12 Q9NYV4 18/20 0.89
▸ CCNT1 O60563 16/20 0.89
▸ CDK9 P50750 16/20 0.89
▸ CDK7 P50613 14/20 0.89
▸ CCNE1 P24864 14/20 0.89
▸ CDK2 P24941 14/20 0.89
▸ CCNH P51946 13/20 0.89
▸ CRBN Q96SW2 1/20 0.89
▸ MNAT1 P51948 12/20 0.75

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
SCHEMBL29596542 1.00 CCNK (0.89) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL30523927 1.00 CCNK (0.89) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL17150537 1.00 CCNK (0.89) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL20190945 0.94 CCNT1 (1.00) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL24839342 0.94 CCNT1 (1.00) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL29613489 0.94 CCNT1 (1.00) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL20190942 0.94 CCNT1 (1.00) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL6039764 0.94 CDK2 (0.78) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL29994490 0.94 CDK2 (0.78) CCNKCDK12CCNT1CDK9CDK7
Hydrochloric Acid SCHEMBL17141264 0.93 CDK2 (0.76) CCNKCDK12CCNT1CDK9CDK7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148210-A1 CYCLIN-DEPENDENT KINASE 12 MODULATORS AND THERAPEUTIC USES THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-07-11 — — WO disclosed
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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