SCHEMBL22272121

SCHEMBL22272121

C=CC(=O)N1CCCC(C(=O)N2CCC(C=O)(CNc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.61
▸ CDK9 P50750 13/20 0.61
▸ CDK7 P50613 12/20 0.61
▸ CCNT1 O60563 6/20 0.61
▸ CCNH P51946 6/20 0.61
▸ MNAT1 P51948 6/20 0.61
▸ CCNA1 P78396 6/20 0.61
▸ CCNE1 P24864 3/20 0.54
▸ CCNK O75909 1/20 0.54
▸ CDK14 O94921 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNC P24863 1/20 0.54
▸ CDK8 P49336 1/20 0.54
▸ CDK3 Q00526 1/20 0.54
▸ CDK5 Q00535 1/20 0.54
▸ CDK16 Q00536 1/20 0.54
▸ CDK13 Q14004 1/20 0.54
▸ CDK5R1 Q15078 1/20 0.54
▸ CCNY Q8ND76 1/20 0.54

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
SCHEMBL17148410 0.85 CDK2 (0.84) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL17141859 0.77 CDK2 (0.95) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL17141909 0.76 CDK2 (0.78) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL17141895 0.76 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22272120 0.76 CDK2 (0.72) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL23220919 0.74 CDK2 (0.75) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22056316 0.74 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22055615 0.74 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL23664273 0.74 CDK2 (0.74) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL20583353 0.73 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH

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
EP-3129371-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2020-07-29 — — EP disclosed
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