SCHEMBL25328902

SCHEMBL25328902

Clc1cnc(N[C@@H]2CCN(C3CCNCC3)C2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.68
▸ CCNK O75909 10/20 0.68
▸ CDK12 Q9NYV4 10/20 0.68
▸ CCNT1 O60563 8/20 0.68
▸ CDK9 P50750 8/20 0.68
▸ CCNE1 P24864 7/20 0.68
▸ CDK7 P50613 9/20 0.66
▸ CCNH P51946 8/20 0.66
▸ CRBN Q96SW2 1/20 0.66
▸ MNAT1 P51948 7/20 0.65
▸ MAPK8 P45983 9/20 0.63
▸ MAPK9 P45984 9/20 0.63
▸ JUN P05412 8/20 0.63
▸ MAPK10 P53779 7/20 0.63

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
SCHEMBL25328906 1.00 CDK2 (0.68) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25330852 0.91 CDK2 (0.62) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25330857 0.91 CDK2 (0.62) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25328949 0.90 CCNK (0.75) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25327407 0.88 CDK2 (0.62) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25328942 0.87 MAPK8 (0.70) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25328939 0.87 MAPK8 (0.70) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25329278 0.87 CDK2 (0.58) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25329283 0.87 CDK2 (0.58) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL6039764 0.87 CDK2 (0.78) CDK2CCNKCDK12CCNT1CDK9

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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