SCHEMBL29994490

SCHEMBL29994490

Clc1cnc(NC2CCNCC2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.78
▸ CCNK O75909 12/20 0.78
▸ CDK12 Q9NYV4 12/20 0.78
▸ CDK7 P50613 11/20 0.78
▸ CCNT1 O60563 10/20 0.78
▸ CDK9 P50750 10/20 0.78
▸ CCNH P51946 10/20 0.78
▸ CCNE1 P24864 8/20 0.78
▸ CRBN Q96SW2 1/20 0.78
▸ MNAT1 P51948 9/20 0.72
▸ MAPK8 P45983 7/20 0.66
▸ MAPK9 P45984 7/20 0.66
▸ JUN P05412 6/20 0.66
▸ MAPK10 P53779 5/20 0.66

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
SCHEMBL6039764 1.00 CDK2 (0.78) CDK2CCNKCDK12CDK7CCNT1
Hydrochloric Acid SCHEMBL17141264 0.99 CDK2 (0.76) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL29596542 0.94 CCNK (0.89) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL30523927 0.94 CCNK (0.89) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL17150537 0.94 CCNK (0.89) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL25328316 0.94 CCNK (0.89) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL17141346 0.90 CDK2 (0.79) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL17150629 0.90 CDK2 (0.67) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL20416312 0.90 CDK2 (0.67) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL25329765 0.89 CDK2 (0.83) CDK2CCNKCDK12CDK7CCNT1

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-108276382-B Cyclin-dependent kinase inhibitor and application thereof 南京圣和药物研发有限公司 2022-10-18 — — CN disclosed
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