SCHEMBL30537174

SCHEMBL30537174

Cc1ncc(-c2nc(NC3CCN(S(=O)(=O)CCO)CC3)ncc2C(F)(F)F)s1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.52
▸ CDK2 P24941 19/20 0.52
▸ CCND1 P24385 14/20 0.49
▸ CDK6 Q00534 14/20 0.49
▸ CDK1 P06493 12/20 0.49
▸ CCNB1 P14635 12/20 0.49
▸ CDK4 P11802 11/20 0.49
▸ CCND3 P30281 11/20 0.49
▸ CCNT1 O60563 5/20 0.49
▸ CDK7 P50613 5/20 0.49
▸ CDK9 P50750 5/20 0.49
▸ CCNH P51946 5/20 0.49
▸ MNAT1 P51948 5/20 0.49
▸ PTK2 Q05397 1/20 0.40

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
SCHEMBL25403192 1.00 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL25402390 0.92 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30537182 0.92 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30537277 0.87 CCNE1 (0.67) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL25404136 0.87 CCNE1 (0.67) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL25398838 0.86 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30537275 0.86 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL25400877 0.85 CCNE1 (0.53) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30537178 0.85 CCNE1 (0.53) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL25401381 0.85 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CDK1

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