SCHEMBL30906901

SCHEMBL30906901

COCc1cc(-c2nc(NC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)ncc2C(F)(F)F)sc1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.61
▸ CDK2 P24941 20/20 0.61
▸ CDK1 P06493 14/20 0.61
▸ CCNB1 P14635 14/20 0.61
▸ CCND1 P24385 13/20 0.61
▸ CDK6 Q00534 13/20 0.61
▸ CDK4 P11802 11/20 0.61
▸ CCND3 P30281 11/20 0.61
▸ CCNT1 O60563 5/20 0.61
▸ CDK7 P50613 5/20 0.61
▸ CDK9 P50750 5/20 0.61
▸ CCNH P51946 5/20 0.61
▸ MNAT1 P51948 5/20 0.61
▸ CCNB2 O95067 2/20 0.42
▸ CCNE2 O96020 2/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ CDK5R1 Q15078 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42

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
SCHEMBL27213158 1.00 CCNE1 (0.61) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL30906867 0.86 CCNE1 (0.61) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL27213127 0.86 CCNE1 (0.61) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL30906761 0.85 CDK2 (0.61) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL30906794 0.85 CDK2 (0.61) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL27213203 0.85 CDK2 (0.61) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL27213235 0.85 CDK2 (0.61) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL27213205 0.84 CDK2 (0.60) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL30906855 0.84 CDK2 (0.60) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL25403549 0.84 CDK2 (0.67) CCNE1CDK2CDK1CCNB1CCND1

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
Send feedback