SCHEMBL28557319

SCHEMBL28557319

Cc1cnc(NC2CCN(C(=O)O)C2)nc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK12 Q9NYV4 19/20 0.57
▸ CCNK O75909 18/20 0.57
▸ MAPK1 P28482 1/20 0.48
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43

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
SCHEMBL28557316 1.00 CDK12 (0.57) CDK12CCNKMAPK1CCNA2CDK2
SCHEMBL28551451 0.86 CDK12 (0.57) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL28543261 0.86 CCNK (0.60) CDK12CCNK
SCHEMBL28552948 0.86 CCNK (0.60) CDK12CCNK
SCHEMBL28543260 0.86 CCNK (0.60) CDK12CCNK
SCHEMBL28551450 0.86 CDK12 (0.57) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL4105243 0.84 EPHX2 (0.46) CDK12CCNKMAPK1
SCHEMBL28559025 0.83 CCNK (0.60) CDK12CCNK
SCHEMBL28559024 0.83 CCNK (0.60) CDK12CCNK
SCHEMBL28541024 0.82 CCNK (0.60) CDK12CCNKCCNA2CDK2CDK7

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
CN-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 — — CN disclosed
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