SCHEMBL22997709

SCHEMBL22997709

Cn1cnc(SN2CCC(Nc3ncc(C(F)(F)F)c(-c4ncn(C)c4Cl)n3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 18/20 0.52
▸ CDK2 P24941 18/20 0.52
▸ CDK1 P06493 14/20 0.46
▸ CCNB1 P14635 14/20 0.46
▸ CDK4 P11802 11/20 0.46
▸ CCND1 P24385 11/20 0.46
▸ CCND3 P30281 11/20 0.46
▸ CDK6 Q00534 11/20 0.46
▸ CDK7 P50613 6/20 0.46
▸ CCNH P51946 6/20 0.46
▸ MNAT1 P51948 6/20 0.46
▸ CCNT1 O60563 5/20 0.46
▸ CDK9 P50750 5/20 0.46
▸ CCNB2 O95067 2/20 0.37
▸ CCNE2 O96020 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ CCNB3 Q8WWL7 2/20 0.37
▸ ULK1 O75385 1/20 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
SCHEMBL22997649 0.86 CCNE1 (0.53) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997746 0.86 CCNE1 (0.58) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997713 0.82 CCNE1 (0.49) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL27026916 0.82 CDK2 (0.47) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30449106 0.81 CCNE1 (0.69) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22977071 0.81 CCNE1 (0.69) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22977201 0.79 CCNE1 (0.81) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997642 0.78 CCNE1 (0.43) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997720 0.76 CCNE1 (0.55) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997742 0.76 CDK2 (0.72) CCNE1CDK2CDK1CCNB1CDK4

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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