SCHEMBL29684276

SCHEMBL29684276

CN1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nccc(C(C)(C)O)c5c4)n3)nc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 19/20 0.62
▸ CCND3 P30281 15/20 0.62
▸ CDK4 P11802 15/20 0.61
▸ CDK2 P24941 13/20 0.59
▸ CCNA2 P20248 10/20 0.59
▸ CCNE2 O96020 9/20 0.59
▸ CCND1 P24385 8/20 0.59
▸ CDK1 P06493 7/20 0.59
▸ PIM1 P11309 3/20 0.59
▸ CCNE1 P24864 2/20 0.59
▸ JAK3 P52333 1/20 0.59
▸ MAP3K14 Q99558 1/20 0.59
▸ CSF1R P07333 2/20 0.58
▸ CDK5 Q00535 2/20 0.58
▸ CCNK O75909 1/20 0.58
▸ CDK7 P50613 1/20 0.58
▸ CDK9 P50750 1/20 0.58
▸ CCNH P51946 1/20 0.58
▸ CDK5R1 Q15078 1/20 0.58

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
SCHEMBL24483279 1.00 CDK6 (0.62) CDK6CCND3CDK4CDK2CCNA2
Hydrochloric Acid SCHEMBL29684266 0.99 CDK6 (0.61) CDK6CCND3CDK4CDK2CCNA2
SCHEMBL29684594 0.92 CDK6 (0.52) CDK6CCND3CDK4CDK2CCNA2
SCHEMBL24483293 0.92 CDK6 (0.52) CDK6CCND3CDK4CDK2CCNA2
SCHEMBL29684587 0.92 CDK6 (0.63) CDK6CCND3CDK4CDK2CCNA2
SCHEMBL24483290 0.92 CDK6 (0.63) CDK6CCND3CDK4CDK2CCNA2
SCHEMBL24483291 0.92 CDK6 (0.54) CDK6CCND3CDK4CDK2CCNA2
SCHEMBL29684620 0.92 CDK6 (0.54) CDK6CCND3CDK4CDK2CCNA2
SCHEMBL24483424 0.90 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNA2
SCHEMBL29683926 0.90 CDK6 (0.59) CDK6CCND3CDK4CDK2CCNA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 — — WO claimed
WO-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 — — WO disclosed
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