SCHEMBL24710258

SCHEMBL24710258

Cn1cc(-c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)ncc2F)c2cccnc21

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCND1 P24385 16/20 0.70
▸ CDK6 Q00534 16/20 0.70
▸ DYRK2 Q92630 2/20 0.47
▸ MAP4K1 Q92918 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ CDK4 P11802 1/20 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
SCHEMBL24710588 0.92 CCND1 (0.71) CCND1CDK6CDK4
SCHEMBL24710109 0.88 CCND1 (0.74) CCND1CDK6CDK4
SCHEMBL24710249 0.87 CDK6 (0.69) CCND1CDK6DYRK2FLT3CDK4
SCHEMBL29684498 0.84 DYRK2 (0.51) CCND1CDK6DYRK2CDK4
SCHEMBL24483258 0.84 DYRK2 (0.51) CCND1CDK6DYRK2CDK4
SCHEMBL28891475 0.84 CDK6 (0.57) CCND1CDK6DYRK2CDK4
SCHEMBL24710259 0.82 CDK6 (1.00) CCND1CDK6CDK4
SCHEMBL24710417 0.82 CCND1 (0.81) CCND1CDK6DYRK2
SCHEMBL24482655 0.81 DYRK2 (0.53) CCND1CDK6DYRK2CDK4
SCHEMBL24483228 0.81 DYRK2 (0.60) CCND1CDK6DYRK2CDK4

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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