SCHEMBL29684138

SCHEMBL29684138

CS(=O)(=O)N1CCN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5ncccc5c4)n3)nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 19/20 0.54
▸ CCND3 P30281 17/20 0.54
▸ CDK4 P11802 14/20 0.54
▸ CCNA2 P20248 11/20 0.54
▸ CDK2 P24941 9/20 0.54
▸ CCND1 P24385 6/20 0.54
▸ CCNT1 O60563 1/20 0.54
▸ CCNE1 P24864 1/20 0.54
▸ CDK7 P50613 1/20 0.54
▸ CDK9 P50750 1/20 0.54
▸ CCNH P51946 1/20 0.54
▸ CDK1 P06493 10/20 0.53
▸ CCNE2 O96020 6/20 0.51
▸ PIM1 P11309 2/20 0.51
▸ CDK5 Q00535 1/20 0.51

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
SCHEMBL24483404 1.00 CDK6 (0.54) CDK6CCND3CDK4CCNA2CDK2
Hydrochloric Acid SCHEMBL29684307 0.99 CDK6 (0.54) CDK6CCND3CDK4CCNA2CDK2
SCHEMBL29684256 0.89 CDK6 (0.67) CDK6CCND3CDK4CCNA2CDK2
SCHEMBL24483440 0.89 CDK6 (0.67) CDK6CCND3CDK4CCNA2CDK2
Hydrochloric Acid SCHEMBL29684387 0.88 CDK6 (0.66) CDK6CCND3CDK4CCNA2CDK2
SCHEMBL24483253 0.87 CDK6 (0.63) CDK6CCND3CDK4CCNA2CDK2
SCHEMBL29684202 0.87 CDK6 (0.63) CDK6CCND3CDK4CCNA2CDK2
SCHEMBL24483433 0.86 CDK6 (0.65) CDK6CCND3CDK4CCNA2CDK2
SCHEMBL24483435 0.86 CDK6 (0.66) CDK6CCND3CDK4CCNA2CDK2
SCHEMBL29684340 0.86 CDK6 (0.66) CDK6CCND3CDK4CCNA2CDK2

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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