SCHEMBL30537222

SCHEMBL30537222

CC(C)(O)Cc1ncc(-c2nc(NC3CCN(S(=O)(=O)c4cnn(CC#N)c4)CC3)ncc2C(F)(F)F)s1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.55
▸ CDK2 P24941 20/20 0.55
▸ CDK1 P06493 15/20 0.55
▸ CCNB1 P14635 15/20 0.55
▸ CDK4 P11802 14/20 0.55
▸ CCND1 P24385 14/20 0.55
▸ CCND3 P30281 14/20 0.55
▸ CDK6 Q00534 14/20 0.55
▸ CCNT1 O60563 8/20 0.55
▸ CDK7 P50613 8/20 0.55
▸ CDK9 P50750 8/20 0.55
▸ CCNH P51946 8/20 0.55
▸ MNAT1 P51948 8/20 0.55

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
SCHEMBL25433540 1.00 CCNE1 (0.55) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30537187 0.89 CCNE1 (0.64) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL25404111 0.89 CCNE1 (0.64) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL27213195 0.84 CCNE1 (0.55) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30906851 0.84 CCNE1 (0.55) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL25403156 0.83 CCNE1 (0.64) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30537189 0.83 CCNE1 (0.64) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL25435463 0.81 CCNE1 (0.63) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30537175 0.81 CCNE1 (0.63) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30906896 0.80 CCNE1 (0.58) 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 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
Send feedback