SCHEMBL22997830

SCHEMBL22997830

Cc1ccc(-n2cnc(-c3nc(NC4CCN(S(=O)(=O)c5cn(C)cn5)CC4C)ncc3C(F)(F)F)c2)c(C#N)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 13/20 0.48
▸ CDK2 P24941 13/20 0.48
▸ CDK4 P11802 10/20 0.48
▸ CCND1 P24385 10/20 0.48
▸ CCND3 P30281 10/20 0.48
▸ CDK6 Q00534 10/20 0.48
▸ CDK1 P06493 10/20 0.48
▸ CCNB1 P14635 10/20 0.48
▸ CCNT1 O60563 6/20 0.48
▸ CDK7 P50613 6/20 0.48
▸ CDK9 P50750 6/20 0.48
▸ CCNH P51946 6/20 0.48
▸ MNAT1 P51948 6/20 0.48
▸ SLC6A9 P48067 3/20 0.37

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
SCHEMBL22977445 1.00 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22977255 0.92 CCNE1 (0.41) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22977292 0.91 CCNE1 (0.39) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL29820833 0.91 CCNE1 (0.39) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22977076 0.89 CCNE1 (0.39) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22977382 0.86 CCNE1 (0.47) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22997681 0.86 CCNE1 (0.47) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22977027 0.84 CCNE1 (0.47) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22977436 0.83 CCNE1 (0.36) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22997743 0.81 CDK4 (0.40) CCNE1CDK2CDK4CCND1CCND3

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-2021030537-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION (US) 2021-02-18 — — WO disclosed
Send feedback