SCHEMBL30906842

SCHEMBL30906842

C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)cs2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.50
▸ CCNE1 P24864 14/20 0.50
▸ CDK4 P11802 9/20 0.50
▸ CCND1 P24385 9/20 0.50
▸ CCND3 P30281 9/20 0.50
▸ CDK6 Q00534 9/20 0.50
▸ CDK1 P06493 9/20 0.50
▸ CCNB1 P14635 9/20 0.50
▸ CCNT1 O60563 4/20 0.50
▸ CDK7 P50613 4/20 0.50
▸ CDK9 P50750 4/20 0.50
▸ CCNH P51946 4/20 0.50
▸ MNAT1 P51948 4/20 0.50
▸ KDR P35968 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.36
▸ CCNK O75909 2/20 0.35
▸ CDK12 Q9NYV4 2/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ CCNA2 P20248 1/20 0.35

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
SCHEMBL27213124 1.00 CDK2 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906872 0.93 CCNE1 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906879 0.93 CCNE1 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213108 0.93 CCNE1 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213239 0.93 CCNE1 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213258 0.90 CCNE1 (0.44) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906850 0.90 CCNE1 (0.44) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213140 0.89 CDK2 (0.61) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906860 0.89 CDK2 (0.61) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906884 0.88 CDK6 (0.47) CDK2CCNE1CDK4CCND1CCND3

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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