SCHEMBL6651365

SCHEMBL6651365

CC1(C)OCC(=CCn2cnc3nc(N)nc(Cl)c32)CO1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32

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
SCHEMBL6153369 0.82 HSP90AB1 (0.45)
SCHEMBL8058952 0.73 ADORA2B (0.40) ADORA2AADORA1
SCHEMBL8781644 0.67 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL4846999 0.66 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL29601416 0.66 ADORA2B (0.40) ADORA2AADORA1
SCHEMBL9391801 0.66 CSNK2A2 (0.44) ADORA2AADORA1
SCHEMBL12311046 0.64 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL7981147 0.64 ADORA2B (0.42) ADORA2AADORA1
SCHEMBL7968026 0.63 ADORA2B (0.41) ADORA2AADORA1
SCHEMBL7983989 0.63 ADORA2A (0.35) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068210-B1 PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES NOVARTIS INT PHARM LTD (BM) 2004-06-02 EP disclosed
US-6437125-B1 REARRANGEMENT OF N-7 ALKYL GROUP TO THE N-9; PALLADIUM CATALYST AND A (DIPHENYLPHOSPHINO)ALKANE; PENCICLOVIR AND FAMCICLOVIR NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2002-08-20 US disclosed
EP-1068210-A2 PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-01-17 EP disclosed
WO-1999051604-A2 PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-10-14 WO disclosed