SCHEMBL29684292

SCHEMBL29684292

CCCCOC(=O)N1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)cc(C(C)(C)O)c5c4)n3)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.51
▸ CCND3 P30281 15/20 0.51
▸ CDK4 P11802 15/20 0.51
▸ CDK2 P24941 10/20 0.51
▸ CDK1 P06493 9/20 0.51
▸ CCNE2 O96020 8/20 0.51
▸ CCNA2 P20248 8/20 0.51
▸ CCND1 P24385 5/20 0.51
▸ PIM1 P11309 3/20 0.50
▸ CCNE1 P24864 2/20 0.49
▸ CDK5 Q00535 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ JAK3 P52333 1/20 0.46
▸ MAP3K14 Q99558 1/20 0.46
▸ CDK7 P50613 1/20 0.44
▸ CDK9 P50750 1/20 0.44

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
SCHEMBL29684252 0.89 CDK6 (0.51) CDK6CCND3CDK4CDK2CDK1
SCHEMBL24483417 0.89 CDK6 (0.51) CDK6CCND3CDK4CDK2CDK1
SCHEMBL29684096 0.89 CDK6 (0.52) CDK6CCND3CDK4CDK2CDK1
SCHEMBL29684593 0.88 CDK6 (0.49) CDK6CCND3CDK4CDK2CDK1
SCHEMBL29684582 0.84 CDK6 (0.52) CDK6CCND3CDK4CDK2CDK1
SCHEMBL29684311 0.84 CDK6 (0.52) CDK6CCND3CDK4CDK2CDK1
SCHEMBL29684590 0.83 CDK6 (0.49) CDK6CCND3CDK4CDK2CDK1
SCHEMBL29684097 0.82 CDK6 (0.51) CDK6CCND3CDK4CDK2CDK1
SCHEMBL24483416 0.82 CDK6 (0.51) CDK6CCND3CDK4CDK2CDK1
SCHEMBL29684167 0.82 CDK6 (0.46) CDK6CCND3CDK4CDK2CDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 — — WO disclosed
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