SCHEMBL29727232

SCHEMBL29727232

CC(C)(O)c1ccnc2c(F)cc(-c3nc(NC4CCN(S(C)(=O)=O)CC4)ncc3F)cc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.56
▸ CCNE1 P24864 10/20 0.56
▸ CDK1 P06493 7/20 0.56
▸ CCNB1 P14635 6/20 0.56
▸ CCNB2 O95067 2/20 0.56
▸ CCNE2 O96020 2/20 0.56
▸ CDK5 Q00535 2/20 0.56
▸ CDK5R1 Q15078 2/20 0.56
▸ CCNB3 Q8WWL7 2/20 0.56
▸ CDK6 Q00534 14/20 0.51
▸ CCND3 P30281 13/20 0.51
▸ CDK4 P11802 14/20 0.49
▸ CCND1 P24385 14/20 0.49
▸ CCNT1 O60563 1/20 0.44
▸ CDK9 P50750 1/20 0.44

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
SCHEMBL24619627 1.00 CDK2 (0.56) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL29727049 0.93 CDK6 (0.49) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24619338 0.93 CDK6 (0.49) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL29727268 0.92 CDK2 (0.56) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL29727102 0.90 CCNE1 (0.58) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24619097 0.90 CCNE1 (0.58) CDK2CCNE1CDK1CCNB1CCNB2
Hydrochloric Acid SCHEMBL29727097 0.89 CCNE1 (0.57) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24619098 0.88 CCND3 (0.49) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24619631 0.86 CDK2 (0.57) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24619621 0.86 CDK2 (0.57) CDK2CCNE1CDK1CCNB1CCNB2

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-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 — — WO disclosed
Send feedback