SCHEMBL7749494

SCHEMBL7749494

Nc1nc(N)c2ncn(CC(CO)CO)c2n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.65
CDK2 P24941 4/20 0.65
CDK1 P06493 3/20 0.65
CCNB1 P14635 3/20 0.65
AHCY P23526 3/20 0.50
ADORA2A P29274 3/20 0.50
ADORA1 P30542 2/20 0.44
SLC29A1 Q99808 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SRC P12931 1/20 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
SCHEMBL4570450 0.92 CCNE1 (0.58) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL23710566 0.87 AHCY (0.68) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL7749633 0.86 CDK2 (0.48) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL7749502 0.85 CCNE1 (0.47) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL5930210 0.85 CCNE1 (0.61) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL22300666 0.82 CCNE1 (0.70) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL12964251 0.82 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL7745006 0.82 HSP90AB1 (0.51) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL7263234 0.82 ADORA2A (0.67) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL7263232 0.82 ADORA2A (0.67) CCNE1CDK2CDK1CCNB1AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed