SCHEMBL8325285

SCHEMBL8325285

CSc1ncc2c(n1)CCc1cnc(-c3ccc(C)nc3)nc1-2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 18/20 0.54
CDK2 P24941 18/20 0.54
CDK1 P06493 1/20 0.44
CDK7 P50613 1/20 0.44
CDK5 Q00535 1/20 0.44
HTT P42858 1/20 0.37
DUSP10 Q9Y6W6 1/20 0.35

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
SCHEMBL8326575 0.85 CCNA2 (0.58) CCNA2CDK2CDK1CDK7CDK5
SCHEMBL8326420 0.85 CCNA2 (0.67) CCNA2CDK2CDK1CDK7CDK5
SCHEMBL8327878 0.80 CCNA2 (0.34) CCNA2CDK2DUSP10
SCHEMBL8325078 0.78 DUSP10 (0.47) CCNA2CDK2DUSP10
SCHEMBL8324679 0.77 CCNA2 (0.59) CCNA2CDK2CDK1CDK7CDK5
SCHEMBL8328470 0.74 SLC22A12 (0.38)
SCHEMBL8329082 0.71 CCNA2 (0.48) CCNA2CDK2
SCHEMBL8325184 0.66 CCNA2 (0.62) CCNA2CDK2HTT
SCHEMBL8327901 0.66 CCNA2 (0.46) CCNA2CDK2HTT
SCHEMBL7513198 0.66 KDM4E (0.59) CCNA2CDK2HTTDUSP10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915879-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-05-19 EP disclosed
WO-1998001449-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-01-15 WO disclosed