SCHEMBL24483416

SCHEMBL24483416

CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nccc(C(C)(C)O)c5c4)n3)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 16/20 0.51
▸ CDK4 P11802 13/20 0.51
▸ CSF1R P07333 2/20 0.49
▸ CCND3 P30281 11/20 0.49
▸ CDK2 P24941 7/20 0.48
▸ DYRK2 Q92630 3/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ WNT3A P56704 1/20 0.48
▸ CCNE2 O96020 5/20 0.47
▸ CCNA2 P20248 5/20 0.47
▸ CDK1 P06493 4/20 0.47
▸ CCND1 P24385 3/20 0.47
▸ PIM1 P11309 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ MAP3K14 Q99558 1/20 0.47

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
SCHEMBL29684097 1.00 CDK6 (0.51) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL24483285 0.94 DYRK2 (0.48) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684156 0.94 DYRK2 (0.48) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684252 0.92 CDK6 (0.51) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL24483417 0.92 CDK6 (0.51) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL24483429 0.89 CDK6 (0.53) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL29684276 0.88 CDK6 (0.62) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL24483279 0.88 CDK6 (0.62) CDK6CDK4CSF1RCCND3CDK2
Hydrochloric Acid SCHEMBL29684266 0.88 CDK6 (0.61) CDK6CDK4CSF1RCCND3CDK2
SCHEMBL24482798 0.87 CDK6 (0.51) 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 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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