SCHEMBL22272062

SCHEMBL22272062

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(C=O)CC3)s2)o1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 17/20 0.81
▸ CCNE2 O96020 8/20 0.81
▸ CCNE1 P24864 8/20 0.81
▸ CDK9 P50750 11/20 0.77
▸ CDK7 P50613 4/20 0.77
▸ CCNT1 O60563 3/20 0.77
▸ CCNH P51946 3/20 0.77
▸ MNAT1 P51948 2/20 0.77
▸ CCNA1 P78396 2/20 0.77
▸ CDK1 P06493 3/20 0.74
▸ CCNB1 P14635 3/20 0.74
▸ CCNB2 O95067 2/20 0.74
▸ CDK4 P11802 2/20 0.74
▸ CCND1 P24385 2/20 0.74
▸ CCND2 P30279 2/20 0.74
▸ CCND3 P30281 2/20 0.74
▸ CCNB3 Q8WWL7 2/20 0.74
▸ CIT O14578 1/20 0.74
▸ CASK O14936 1/20 0.74
▸ AURKA O14965 1/20 0.74

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
SCHEMBL20905302 0.90 CDK2 (1.00) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL22272120 0.89 CDK2 (0.72) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL18613589 0.89 CDK2 (0.84) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL24528750 0.89 CDK2 (0.84) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL4994410 0.88 CDK2 (0.83) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL24758393 0.88 CDK2 (0.83) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL4928924 0.87 CDK2 (0.81) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17141895 0.87 CDK2 (1.00) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL14067131 0.87 CDK2 (0.82) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL4929170 0.86 CDK2 (1.00) CDK2CCNE2CCNE1CDK9CDK7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805218-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2021-04-14 — — EP disclosed
EP-3129371-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2020-07-29 — — EP disclosed
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