SCHEMBL5840530

SCHEMBL5840530

CCn1cnc2c(Nc3ccc(N)cc3)nc(N[C@H]3CC[C@@H](N)CC3)nc21

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.85
PRKCA P17252 1/20 0.73
PDGFRA P16234 9/20 0.70
CCNE1 P24864 9/20 0.70
CDK2 P24941 9/20 0.70
FLT3 P36888 2/20 0.65
SRC P12931 1/20 0.62

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
SCHEMBL5841922 1.00 CDK1 (0.85) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5840525 1.00 CDK1 (0.85) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5840347 0.92 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5840353 0.92 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5841170 0.92 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5840468 0.91 CDK1 (0.84) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5840463 0.91 CDK1 (0.84) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5839316 0.90 CDK1 (0.82) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5839320 0.90 CDK1 (0.82) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL7203055 0.90 CDK1 (0.82) CDK1PRKCAPDGFRACCNE1CDK2

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
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed