SCHEMBL29684218

SCHEMBL29684218

CC(C)(N)c1ccnc2c(F)cc(-c3nc(Nc4ccc(C5CCNCC5)cn4)ncc3F)cc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.59
▸ CCND3 P30281 17/20 0.59
▸ CDK4 P11802 16/20 0.59
▸ CDK2 P24941 10/20 0.58
▸ CCNE2 O96020 8/20 0.58
▸ CCNA2 P20248 8/20 0.58
▸ CDK1 P06493 7/20 0.58
▸ CCND1 P24385 6/20 0.58
▸ PIM1 P11309 3/20 0.58
▸ CCNE1 P24864 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ MAP3K14 Q99558 1/20 0.47
▸ CDK5 Q00535 2/20 0.46
▸ CCNK O75909 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ CDK5R1 Q15078 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
SCHEMBL24482874 1.00 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483424 0.92 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29683926 0.92 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
Hydrochloric Acid SCHEMBL29684200 0.91 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29683988 0.88 CDK6 (0.56) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483287 0.88 CDK6 (0.56) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483288 0.86 CDK6 (0.60) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684312 0.86 CDK6 (0.60) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL24483419 0.85 CDK6 (0.62) CDK6CCND3CDK4CDK2CCNE2
SCHEMBL29684029 0.85 CDK6 (0.62) 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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