SCHEMBL5840934

SCHEMBL5840934

CCn1cnc2c(Nc3ccc(C(F)(F)F)cc3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.82
SRC P12931 1/20 0.59
PRKCA P17252 1/20 0.56
PDGFRA P16234 5/20 0.56
CCNE1 P24864 5/20 0.56
CDK2 P24941 5/20 0.56

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
SCHEMBL5840941 1.00 CDK1 (0.82) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL7203055 0.91 CDK1 (0.82) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5839316 0.91 CDK1 (0.82) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5839320 0.91 CDK1 (0.82) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840414 0.91 CDK1 (0.83) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840409 0.91 CDK1 (0.83) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840330 0.90 CDK1 (1.00) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840337 0.90 CDK1 (1.00) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840468 0.89 CDK1 (0.84) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840463 0.89 CDK1 (0.84) CDK1SRCPRKCAPDGFRACCNE1

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