SCHEMBL29684096

SCHEMBL29684096

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.52
▸ CDK4 P11802 16/20 0.52
▸ CSF1R P07333 3/20 0.51
▸ CCND3 P30281 13/20 0.49
▸ CDK2 P24941 11/20 0.49
▸ CCNA2 P20248 8/20 0.49
▸ CCNE2 O96020 7/20 0.49
▸ CDK1 P06493 7/20 0.49
▸ CCND1 P24385 4/20 0.49
▸ PIM1 P11309 3/20 0.49
▸ CCNE1 P24864 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ JAK3 P52333 1/20 0.45
▸ MAP3K14 Q99558 1/20 0.45
▸ CDK7 P50613 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ CCNK O75909 1/20 0.45
▸ CCNH P51946 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45

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
SCHEMBL29684311 0.92 CDK6 (0.52) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684582 0.92 CDK6 (0.52) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684292 0.89 CDK6 (0.51) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684517 0.88 CDK6 (0.51) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL24483428 0.88 CDK6 (0.52) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684388 0.88 CDK6 (0.52) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684063 0.86 CDK6 (0.44) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684167 0.84 CDK6 (0.46) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684002 0.84 CDK6 (0.51) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684034 0.82 CDK6 (0.49) CDK6CDK4CSF1RCCND3CDK2

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