SCHEMBL10535015

SCHEMBL10535015

CCC(C(C)C)n1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.57
▸ PDE4A P27815 5/20 0.57
▸ PDE4B Q07343 5/20 0.57
▸ PDE4C Q08493 5/20 0.57
▸ PDE4D Q08499 5/20 0.57
▸ ADORA2B P29275 11/20 0.55
▸ ADORA3 P0DMS8 7/20 0.55
▸ ADORA1 P30542 2/20 0.40
▸ ACHE P22303 1/20 0.37
▸ GDA Q9Y2T3 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL150602 0.82 ADORA2B (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL12413533 0.82 ADORA2B (0.63) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL2917584 0.79 ADORA2B (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL897035 0.79 ADORA2B (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7035609 0.74 ADORA2B (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9432920 0.74 ADORA2A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL380135 0.73 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL27396492 0.73 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL18285098 0.73 ADORA2A (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10506396 0.73 ADORA2B (0.50) ADORA2APDE4APDE4BPDE4CPDE4D

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
WO-1989011487-A1 DERIVATIVES OF CYCLIC AMP AS TREATMENT FOR CANCER UNITED STATES OF AMERICA, REPRESENTED BY THE SECRE (US) 1989-11-30 — — WO disclosed
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