SCHEMBL24483290

SCHEMBL24483290

CCN1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nccc(C(C)(C)O)c5c4)n3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 19/20 0.63
▸ CCND3 P30281 16/20 0.63
▸ CDK4 P11802 14/20 0.63
▸ CDK2 P24941 8/20 0.62
▸ CDK5 Q00535 1/20 0.62
▸ CDK1 P06493 8/20 0.62
▸ CCNA2 P20248 8/20 0.62
▸ CCNE2 O96020 7/20 0.62
▸ CCND1 P24385 7/20 0.62
▸ PIM1 P11309 3/20 0.61
▸ CCNE1 P24864 2/20 0.61
▸ JAK3 P52333 1/20 0.50
▸ MAP3K14 Q99558 1/20 0.50

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
SCHEMBL29684587 1.00 CDK6 (0.63) CDK6CCND3CDK4CDK2CDK5
SCHEMBL24483279 0.92 CDK6 (0.62) CDK6CCND3CDK4CDK2CDK5
SCHEMBL29684276 0.92 CDK6 (0.62) CDK6CCND3CDK4CDK2CDK5
Hydrochloric Acid SCHEMBL29684266 0.92 CDK6 (0.61) CDK6CCND3CDK4CDK2CDK5
SCHEMBL29684594 0.91 CDK6 (0.52) CDK6CCND3CDK4CDK2CDK5
SCHEMBL24483293 0.91 CDK6 (0.52) CDK6CCND3CDK4CDK2CDK5
SCHEMBL24483291 0.90 CDK6 (0.54) CDK6CCND3CDK4CDK2CDK5
SCHEMBL29684620 0.90 CDK6 (0.54) CDK6CCND3CDK4CDK2CDK5
SCHEMBL24483424 0.88 CDK6 (0.59) CDK6CCND3CDK4CDK2CDK5
SCHEMBL29683926 0.88 CDK6 (0.59) CDK6CCND3CDK4CDK2CDK5

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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