Sugi Predict

Sugi Predict / Compounds / SCHEMBL5839876

SCHEMBL5839876

SCHEMBL5839876

CCn1cnc2c(Nc3cccc(C#N)c3)nc(N[C@H]3CC[C@@H](N)CC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 15/20 1.00
▸ PRKCA P17252 4/20 0.77
▸ PDGFRA P16234 5/20 0.65
▸ CCNE1 P24864 5/20 0.65
▸ CDK2 P24941 5/20 0.65
▸ EGFR P00533 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
SCHEMBL5840346 1.00 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5839873 1.00 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5842019 0.91 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5842014 0.91 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL29383223 0.91 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL8707068 0.87 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL7210297 0.87 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5839422 0.87 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5840159 0.87 CDK1 (1.00) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5840733 0.87 CDK1 (1.00) 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