SCHEMBL22272090

SCHEMBL22272090

CCC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC4CCCN(C(=O)OC(C)(C)C)C4)CC3)s2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 17/20 0.58
▸ CCNE2 O96020 8/20 0.58
▸ CCNE1 P24864 8/20 0.58
▸ CDK9 P50750 10/20 0.55
▸ CDK7 P50613 4/20 0.55
▸ CCNT1 O60563 3/20 0.55
▸ CCNH P51946 3/20 0.55
▸ MNAT1 P51948 3/20 0.55
▸ CCNA1 P78396 3/20 0.55
▸ HDAC3 O15379 3/20 0.54
▸ HDAC4 P56524 3/20 0.54
▸ HDAC1 Q13547 3/20 0.54
▸ HDAC7 Q8WUI4 3/20 0.54
▸ HDAC2 Q92769 3/20 0.54
▸ HDAC10 Q969S8 3/20 0.54
▸ HDAC11 Q96DB2 3/20 0.54
▸ HDAC8 Q9BY41 3/20 0.54
▸ HDAC6 Q9UBN7 3/20 0.54
▸ HDAC9 Q9UKV0 3/20 0.54
▸ HDAC5 Q9UQL6 3/20 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
SCHEMBL17141875 0.94 CDK2 (0.67) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL23220923 0.92 CDK2 (0.61) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17141904 0.86 CDK2 (0.69) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17141863 0.85 CDK2 (0.70) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL22272122 0.84 CDK2 (0.69) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL6184407 0.84 CDK2 (0.70) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17141909 0.83 CDK2 (0.78) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL4215831 0.81 CDK2 (0.79) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17148373 0.80 GLS (0.42) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17148368 0.78 CDK2 (0.76) 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 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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