SCHEMBL22997807

SCHEMBL22997807

CSN1CCC(Nc2ncc(C(F)(F)F)c(-c3cn(-c4ccc(C#N)cc4C)cn3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 11/20 0.51
▸ CCNH P51946 11/20 0.51
▸ CCNE1 P24864 10/20 0.51
▸ CDK2 P24941 10/20 0.51
▸ MNAT1 P51948 10/20 0.51
▸ CCNT1 O60563 6/20 0.51
▸ CDK9 P50750 6/20 0.51
▸ CDK1 P06493 4/20 0.51
▸ CDK4 P11802 4/20 0.51
▸ CCNB1 P14635 4/20 0.51
▸ CCND1 P24385 4/20 0.51
▸ CCND3 P30281 4/20 0.51
▸ CDK6 Q00534 4/20 0.51
▸ CCNK O75909 10/20 0.45
▸ CDK12 Q9NYV4 10/20 0.45

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
SCHEMBL22997821 0.92 CDK7 (0.58) CDK7CCNHCCNE1CDK2MNAT1
SCHEMBL22997707 0.89 CCNE1 (0.46) CDK7CCNHCCNE1CDK2MNAT1
SCHEMBL22977284 0.88 CCNE1 (0.66) CDK7CCNHCCNE1CDK2MNAT1
SCHEMBL22997687 0.87 CCNE1 (0.47) CDK7CCNHCCNE1CDK2MNAT1
SCHEMBL22997856 0.86 CCNE1 (0.44) CDK7CCNHCCNE1CDK2MNAT1
SCHEMBL23001266 0.85 CCNE1 (0.43) CDK7CCNHCCNE1CDK2MNAT1
SCHEMBL22997750 0.85 CCNE1 (0.48) CDK7CCNHCCNE1CDK2MNAT1
SCHEMBL22997814 0.82 CCNE1 (0.45) CDK7CCNHCCNE1CDK2MNAT1
SCHEMBL23001275 0.81 CCNE1 (0.46) CDK7CCNHCCNE1CDK2MNAT1
SCHEMBL22977147 0.81 CCNE1 (0.68) CDK7CCNHCCNE1CDK2MNAT1

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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