SCHEMBL29684411

SCHEMBL29684411

Cc1cc(C(C)(C)O)c2cc(-c3nc(Nc4ccc(C5CCCNC5)cn4)ncc3F)cc(F)c2n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.54
▸ CCND3 P30281 19/20 0.54
▸ CDK4 P11802 14/20 0.54
▸ CDK2 P24941 12/20 0.54
▸ CCNE2 O96020 11/20 0.54
▸ CDK1 P06493 10/20 0.54
▸ CCNA2 P20248 10/20 0.54
▸ CCND1 P24385 7/20 0.54
▸ PIM1 P11309 4/20 0.54
▸ CCNE1 P24864 2/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ MAP3K14 Q99558 1/20 0.48
▸ CDK5 Q00535 1/20 0.46

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
SCHEMBL29684029 0.92 CDK6 (0.62) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483419 0.92 CDK6 (0.62) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684171 0.92 CDK6 (0.51) CDK6CCND3CDK4CDK2CCNE2
Hydrochloric Acid SCHEMBL29684368 0.91 CDK6 (0.61) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483287 0.88 CDK6 (0.56) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29683988 0.88 CDK6 (0.56) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483424 0.83 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29683926 0.83 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
Hydrochloric Acid SCHEMBL29684200 0.83 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483417 0.82 CDK6 (0.51) 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 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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