SCHEMBL24710251

SCHEMBL24710251

CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4c[nH]c5ncccc45)n3)nc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCND1 P24385 17/20 0.74
▸ CDK6 Q00534 17/20 0.74
▸ CDK4 P11802 1/20 0.54
▸ DYRK2 Q92630 3/20 0.47

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
SCHEMBL24710249 0.88 CDK6 (0.69) CCND1CDK6CDK4DYRK2
SCHEMBL24710109 0.87 CCND1 (0.74) CCND1CDK6CDK4
SCHEMBL24710247 0.86 CDK6 (1.00) CCND1CDK6CDK4DYRK2
SCHEMBL24710253 0.85 CCND1 (0.75) CCND1CDK6CDK4
SCHEMBL24710248 0.83 CDK6 (1.00) CCND1CDK6CDK4DYRK2
SCHEMBL28590008 0.79 CDK6 (0.70) CCND1CDK6CDK4DYRK2
SCHEMBL24710250 0.79 CCND1 (1.00) CCND1CDK6CDK4DYRK2
SCHEMBL28591505 0.78 CDK6 (0.74) CCND1CDK6CDK4DYRK2
SCHEMBL19209874 0.77 CDK6 (0.62) CCND1CDK6CDK4DYRK2
SCHEMBL21208386 0.76 CDK6 (0.57) CCND1CDK6CDK4DYRK2

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-2022257568-A1 AZAINDOLE PYRIMIDINAMINE HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2022-12-15 — — WO disclosed
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