SCHEMBL7106892

SCHEMBL7106892

CCc1nnc(C2OC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@H]23)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.48
ADORA2A P29274 9/20 0.48
ADORA1 P30542 8/20 0.48
ADORA2B P29275 6/20 0.43
NT5E P21589 3/20 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
SCHEMBL7106895 1.00 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7103592 0.92 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7103589 0.92 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7103782 0.90 ADORA3 (0.47) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7103784 0.90 ADORA3 (0.47) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7104759 0.86 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7762177 0.86 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7762181 0.86 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7202879 0.85 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7104888 0.83 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed