SCHEMBL30537256

SCHEMBL30537256

Cc1ncc(-c2nc(NC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)ncc2C(F)(F)F)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.67
▸ CCNE1 P24864 19/20 0.67
▸ CDK1 P06493 13/20 0.67
▸ CCNB1 P14635 13/20 0.67
▸ CCND1 P24385 12/20 0.67
▸ CDK6 Q00534 12/20 0.67
▸ CDK4 P11802 10/20 0.67
▸ CCND3 P30281 10/20 0.67
▸ CCNT1 O60563 4/20 0.67
▸ CDK7 P50613 4/20 0.67
▸ CDK9 P50750 4/20 0.67
▸ CCNH P51946 4/20 0.67
▸ MNAT1 P51948 4/20 0.67
▸ CCNB2 O95067 2/20 0.47
▸ CCNE2 O96020 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ CDK5R1 Q15078 2/20 0.47
▸ CCNB3 Q8WWL7 2/20 0.47
▸ CCNK O75909 1/20 0.46
▸ CCNA2 P20248 1/20 0.46

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
SCHEMBL25403549 1.00 CDK2 (0.67) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL27213285 0.90 CDK2 (0.67) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL25434479 0.89 CDK2 (0.63) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL30838039 0.89 CDK2 (0.63) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL25435928 0.89 CDK2 (0.63) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL30537185 0.89 CDK2 (0.63) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL25434367 0.88 CCNE1 (0.54) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL30537157 0.88 CCNE1 (0.54) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL30537191 0.88 CCNE1 (0.54) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL25434162 0.88 CCNE1 (0.54) CDK2CCNE1CDK1CCNB1CCND1

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
WO-2023172957-A1 THAIZOLE-PYRIMDIINE CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2023-09-14 — — WO disclosed
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