SCHEMBL28817278

SCHEMBL28817278

CS(=O)(=O)c1cnc(Cl)nc1-c1c[nH]c2c(Br)c(C#N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 9/20 0.43
▸ CCNK O75909 9/20 0.43
▸ CCNE1 P24864 9/20 0.43
▸ CDK2 P24941 9/20 0.43
▸ CDK9 P50750 9/20 0.43
▸ CDK12 Q9NYV4 9/20 0.43
▸ CDK7 P50613 8/20 0.40
▸ CCNH P51946 8/20 0.40
▸ MNAT1 P51948 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RPS6KA5 O75582 2/20 0.33
▸ NFATC1 O95644 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SGK1 O00141 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ JAK2 O60674 1/20 0.30

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
SCHEMBL30007128 1.00 CCNT1 (0.43) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30716225 0.84 RPS6KA5 (0.38) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL26696831 0.84 RPS6KA5 (0.38) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30359906 0.80 PIN1 (0.43) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL22076269 0.79 CCNK (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24588844 0.70 DYRK1A (0.53) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29699124 0.70 DYRK1A (0.53) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30716336 0.70 CCNT1 (0.32) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL26697039 0.70 CCNT1 (0.32) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL21179174 0.68 CCNK (0.49) CCNT1CCNKCCNE1CDK2CDK9

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-114907407-A Inhibitors of cyclin dependent kinase 7(CDK7) 江苏先声药业有限公司 2022-08-16 — — CN disclosed
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