SCHEMBL31329897

SCHEMBL31329897

CN1CCN(c2ccc(Nc3ncc(F)c(-c4ccc5c(c4)OC4(CCN(C(=O)OC(C)(C)C)CC4)CO5)n3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 16/20 0.63
▸ CCND1 P24385 11/20 0.63
▸ CCND3 P30281 6/20 0.52
▸ CDK4 P11802 5/20 0.52
▸ CDK1 P06493 5/20 0.50
▸ CCNA2 P20248 5/20 0.50
▸ CCNE2 O96020 3/20 0.50
▸ CDK2 P24941 3/20 0.50
▸ DYRK2 Q92630 4/20 0.49

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
SCHEMBL28619505 0.86 CDK6 (0.72) CDK6CCND1CCND3CDK4DYRK2
SCHEMBL28610126 0.79 CDK6 (1.00) CDK6CCND1CCND3CDK4CDK1
SCHEMBL29896876 0.79 CDK6 (1.00) CDK6CCND1CCND3CDK4CDK1
SCHEMBL28610131 0.77 CDK6 (0.72) CDK6CCND1CCND3CDK4CDK1
SCHEMBL24483228 0.77 DYRK2 (0.60) CDK6CCND1CDK4DYRK2
SCHEMBL29684290 0.77 DYRK2 (0.60) CDK6CCND1CDK4DYRK2
SCHEMBL30569706 0.76 DYRK2 (0.81) CDK6DYRK2
SCHEMBL26447886 0.76 DYRK2 (0.81) CDK6DYRK2
SCHEMBL18823161 0.76 CDK4 (0.72) CDK6CCND3CDK4CDK1CCNA2
SCHEMBL18081366 0.75 CDK6 (0.71) CDK6CCND1CCND3CDK4CDK1

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
CN-119371410-A Chromone spiro compound and preparation method and application thereof 中国药科大学 2025-01-28 — — CN disclosed
Send feedback