SCHEMBL30291329

SCHEMBL30291329

NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3cnn(C4(CO)CC4)c3)n2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.43
CDK2 P24941 11/20 0.43
CDK1 P06493 11/20 0.43
CCNB1 P14635 11/20 0.43
CCNT1 O60563 7/20 0.43
CDK9 P50750 7/20 0.43
CCNE2 O96020 5/20 0.43
CCNB2 O95067 5/20 0.43
CDK5 Q00535 5/20 0.43
CDK5R1 Q15078 5/20 0.43
CCNB3 Q8WWL7 5/20 0.43
JAK2 O60674 2/20 0.39
TYK2 P29597 2/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
CDK4 P11802 6/20 0.38
CCND1 P24385 6/20 0.38
CCND3 P30281 6/20 0.38
CDK6 Q00534 6/20 0.38
LRRK2 Q5S007 2/20 0.37

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
SCHEMBL30291369 0.86 CCNE1 (0.43) CCNE1CDK2CDK1CCNB1CCNT1
SCHEMBL31121916 0.85 CCNE1 (0.46) CCNE1CDK2CDK1CCNB1CCNT1
SCHEMBL30291237 0.83 CCNE1 (0.44) CCNE1CDK2CDK1CCNB1CCNT1
SCHEMBL30291212 0.82 CCNE1 (0.42) CCNE1CDK2CDK1CCNB1CCNT1
SCHEMBL30291355 0.81 CCNE1 (0.55) CCNE1CDK2CDK1CCNB1CCNT1
SCHEMBL31121897 0.80 JAK2 (0.44) CCNE1CDK2CDK1CCNB1CCNT1
SCHEMBL30291352 0.80 JAK2 (0.44) CCNE1CDK2CDK1CCNB1CCNT1
SCHEMBL30291217 0.80 JAK2 (0.44) CCNE1CDK2CDK1CCNB1CCNT1
SCHEMBL30291146 0.79 JAK2 (0.49) CCNE1CDK2CDK1CCNB1CCNT1
SCHEMBL30291198 0.79 JAK2 (0.49) CCNE1CDK2CDK1CCNB1CCNT1

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