SCHEMBL24483280

SCHEMBL24483280

CC(C)(O)c1ccnc2c(F)cc(-c3nc(Nc4ncc(C5CCNCC5)cn4)ncc3F)cc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.52
▸ CDK4 P11802 17/20 0.52
▸ CCND3 P30281 14/20 0.49
▸ CDK1 P06493 6/20 0.48
▸ CCNA2 P20248 6/20 0.48
▸ CDK2 P24941 5/20 0.48
▸ CCNE2 O96020 4/20 0.48
▸ CCND1 P24385 3/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ CSF1R P07333 3/20 0.43
▸ CDK5 Q00535 1/20 0.39

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
SCHEMBL29684318 1.00 CDK6 (0.52) CDK6CDK4CCND3CDK1CCNA2
Hydrochloric Acid SCHEMBL29684146 0.99 CDK6 (0.51) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29683926 0.93 CDK6 (0.59) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL24483424 0.93 CDK6 (0.59) CDK6CDK4CCND3CDK1CCNA2
Hydrochloric Acid SCHEMBL29684200 0.92 CDK6 (0.59) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL24483287 0.89 CDK6 (0.56) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29683988 0.89 CDK6 (0.56) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL30915280 0.87 CDK6 (0.46) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL24482882 0.85 CDK6 (0.42) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL29684767 0.85 CDK6 (0.42) CDK6CDK4CCND3CDK1CCNA2

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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