SCHEMBL24483287

SCHEMBL24483287

CC(C)(O)c1ccnc2c(F)cc(-c3nc(Nc4ccc(C5CCNC5)cn4)ncc3F)cc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.56
▸ CCND3 P30281 18/20 0.56
▸ CDK4 P11802 15/20 0.56
▸ CDK2 P24941 10/20 0.56
▸ CCNE2 O96020 9/20 0.56
▸ CDK1 P06493 8/20 0.56
▸ CCNA2 P20248 8/20 0.56
▸ CCND1 P24385 6/20 0.56
▸ PIM1 P11309 3/20 0.56
▸ CCNE1 P24864 2/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ MAP3K14 Q99558 1/20 0.46
▸ 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
SCHEMBL29683988 1.00 CDK6 (0.56) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684171 0.96 CDK6 (0.51) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29683926 0.96 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483424 0.96 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
Hydrochloric Acid SCHEMBL29684200 0.95 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483280 0.89 CDK6 (0.52) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684318 0.89 CDK6 (0.52) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24482874 0.88 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684218 0.88 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
Hydrochloric Acid SCHEMBL29684146 0.88 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
Send feedback