SCHEMBL5223993

SCHEMBL5223993

CCc1nnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(N)C5)nc43)C(O)C2O)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.45
CCNA2 P20248 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
ADORA2A P29274 16/20 0.44
ADORA3 P0DMS8 8/20 0.42
CDK1 P06493 1/20 0.42
CDK5 Q00535 1/20 0.42
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40

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
SCHEMBL4668071 1.00 CCNE2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL591167 1.00 CCNE2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL591168 1.00 CCNE2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL5223984 1.00 CCNE2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL4669301 1.00 CCNE2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL4668074 1.00 CCNE2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3161155 1.00 CCNE2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL588976 0.94 CCNE2 (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL588977 0.94 CCNE2 (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL10155859 0.91 ADORA2A (0.45) ADORA2AADORA3CDK1CDK5ADORA2B

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-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 WO disclosed