SCHEMBL7102240

SCHEMBL7102240

CCC(CC)Nc1nc(N(CO)CC(C)C)nc2c1ncn2[C@@H]1O[C@H](c2nnc(C3CC3)o2)[C@@H](OC=O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.39
ADORA2B P29275 4/20 0.39
ADORA3 P0DMS8 3/20 0.38
ADORA1 P30542 2/20 0.34
TMIGD3 P0DMS9 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
Formic Acid SCHEMBL7102233 0.92 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7104803 0.91 ADORA3 (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7208768 0.87 ADORA2A (0.40) ADORA2AADORA2BADORA3
SCHEMBL7102237 0.81 CCNA2 (0.38) ADORA2AADORA2BADORA3ADORA1
Formic Acid SCHEMBL7208762 0.79 ADORA2A (0.43) ADORA2AADORA2BADORA3
SCHEMBL7207666 0.78 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7566399 0.78 ADORA2A (0.41) ADORA2AADORA2BADORA1
SCHEMBL7099680 0.76 ADORA1 (0.57) ADORA2AADORA2BADORA3ADORA1TMIGD3
SCHEMBL7151509 0.75 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7104801 0.75 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1

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