SCHEMBL30906809

SCHEMBL30906809

C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2ncc(CC(C)(C)O)s2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.52
▸ CDK2 P24941 19/20 0.52
▸ CCND1 P24385 12/20 0.52
▸ CDK6 Q00534 12/20 0.52
▸ CDK1 P06493 11/20 0.52
▸ CCNB1 P14635 11/20 0.52
▸ CDK4 P11802 10/20 0.52
▸ CCND3 P30281 10/20 0.52
▸ CCNT1 O60563 4/20 0.52
▸ CDK7 P50613 4/20 0.52
▸ CDK9 P50750 4/20 0.52
▸ CCNH P51946 4/20 0.52
▸ MNAT1 P51948 4/20 0.52
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL27213204 1.00 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213252 0.93 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906864 0.93 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906852 0.93 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213184 0.93 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213192 0.90 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906866 0.90 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213166 0.89 CCNE1 (0.63) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906792 0.89 CCNE1 (0.63) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906843 0.88 CCNE1 (0.49) 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-2024077216-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2024-04-11 — — WO claimed
WO-2024077216-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2024-04-11 — — WO disclosed
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