SCHEMBL22997840

SCHEMBL22997840

CNC(=O)c1ccc(-n2cnc(-c3nc(NC4CCN([S+](C)[O-])CC4)ncc3C(F)(F)F)c2)c(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.40
▸ CCNE1 P24864 15/20 0.40
▸ CDK1 P06493 10/20 0.40
▸ CDK4 P11802 10/20 0.40
▸ CCNB1 P14635 10/20 0.40
▸ CCND1 P24385 10/20 0.40
▸ CCND3 P30281 10/20 0.40
▸ CDK6 Q00534 10/20 0.40
▸ CCNT1 O60563 7/20 0.40
▸ CDK9 P50750 7/20 0.40
▸ CDK7 P50613 4/20 0.40
▸ CCNH P51946 4/20 0.40
▸ MNAT1 P51948 4/20 0.40
▸ CCNK O75909 3/20 0.38
▸ CDK12 Q9NYV4 3/20 0.38
▸ CCNA2 P20248 5/20 0.38
▸ CCNA1 P78396 5/20 0.38

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
SCHEMBL22976956 0.88 CDK2 (0.55) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL22997775 0.86 CCNE1 (0.43) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL22997731 0.82 CCNE1 (0.44) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL22997763 0.82 CCNE1 (0.48) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL22997843 0.81 CCNE1 (0.42) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL22997643 0.81 CCNE1 (0.57) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL22997705 0.81 CCNE1 (0.43) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL22997717 0.81 CCNE1 (0.41) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL22997721 0.80 CCNE1 (0.52) CDK2CCNE1CDK1CDK4CCNB1
SCHEMBL22997701 0.80 CCNE1 (0.44) CDK2CCNE1CDK1CDK4CCNB1

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
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