SCHEMBL29684252

SCHEMBL29684252

Cc1cc(C(C)(C)O)c2cc(-c3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)cc(F)c2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 16/20 0.51
▸ CCND3 P30281 13/20 0.51
▸ CDK4 P11802 12/20 0.51
▸ CDK2 P24941 8/20 0.51
▸ CCNE2 O96020 7/20 0.51
▸ CDK1 P06493 5/20 0.51
▸ CCNA2 P20248 5/20 0.51
▸ CCND1 P24385 4/20 0.51
▸ PIM1 P11309 3/20 0.50
▸ CCNE1 P24864 2/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ MAP3K14 Q99558 1/20 0.49
▸ DYRK2 Q92630 3/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ WNT3A P56704 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
SCHEMBL24483417 1.00 CDK6 (0.51) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483416 0.92 CDK6 (0.51) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684097 0.92 CDK6 (0.51) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684388 0.90 CDK6 (0.52) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483428 0.90 CDK6 (0.52) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684292 0.89 CDK6 (0.51) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483445 0.87 DYRK2 (0.51) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29683868 0.87 DYRK2 (0.51) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483285 0.85 DYRK2 (0.48) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684156 0.85 DYRK2 (0.48) CDK6CCND3CDK4CDK2CCNE2

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
Send feedback