SCHEMBL30291355

SCHEMBL30291355

CC(C)(O)Cn1cc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3F)ncc2C(F)(F)F)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.55
CDK2 P24941 10/20 0.55
CDK1 P06493 8/20 0.55
CCNB1 P14635 8/20 0.55
CDK4 P11802 6/20 0.55
CCND1 P24385 6/20 0.55
CCND3 P30281 6/20 0.55
CDK6 Q00534 6/20 0.55
CCNT1 O60563 7/20 0.55
CDK9 P50750 7/20 0.55
CDK7 P50613 5/20 0.55
CCNH P51946 5/20 0.55
MNAT1 P51948 5/20 0.55
CCNE2 O96020 3/20 0.44
CCNB2 O95067 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
TTK P33981 3/20 0.43
CCNK O75909 1/20 0.41

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
SCHEMBL30291275 0.93 CCNE1 (0.48) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30291148 0.93 CCNE1 (0.48) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30291163 0.93 CCNE1 (0.48) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL31121914 0.92 CCNE1 (0.55) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL31121902 0.91 CCNE1 (0.53) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL31121900 0.90 JAK2 (0.47) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL31121907 0.90 CDK1 (0.55) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30291209 0.89 CCNE1 (0.44) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL31121906 0.89 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL31121916 0.89 CCNE1 (0.46) CCNE1CDK2CDK1CCNB1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355742-A1 SUBSTITUTED PYRIMIDINYL-PYRAZOLES AS CDK2 INHIBITORS Blueprint Medicines Corporation (US) 2024-04-24 EP disclosed
CN-117813300-A Substituted pyrimidinyl-pyrazoles as CDK2 inhibitors 缆图药品公司 2024-04-02 CN disclosed
WO-2022266190-A1 SUBSTITUTED PYRIMIDINYL-PYRAZOLES AS CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-12-22 WO disclosed