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Formic Acid

Formic Acid

SCHEMBL7208762

CCC(CC)Nc1nc(N(CO)CC(C)C)nc2c1ncn2[C@@H]1O[C@H](c2nc(C)no2)[C@@H](O)[C@H]1O.O=CO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.43
▸ ADORA2B P29275 4/20 0.43
▸ ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL7207666 0.96 ADORA2A (0.42) ADORA2AADORA2BADORA3
SCHEMBL7208768 0.92 ADORA2A (0.40) ADORA2AADORA2BADORA3
Formic Acid SCHEMBL7566394 0.89 ADORA2A (0.45) ADORA2AADORA2B
Formic Acid SCHEMBL7102233 0.87 ADORA2A (0.42) ADORA2AADORA2BADORA3
SCHEMBL7207963 0.85 ADORA2A (0.44) ADORA2AADORA2B
SCHEMBL7104803 0.83 ADORA3 (0.42) ADORA2AADORA2BADORA3
SCHEMBL7566399 0.81 ADORA2A (0.41) ADORA2AADORA2B
SCHEMBL7208637 0.81 ADORA3 (0.57) ADORA2AADORA2BADORA3
Formic Acid SCHEMBL7574645 0.81 ADORA2A (0.49) ADORA2AADORA2BADORA3
Formic Acid SCHEMBL7203435 0.80 ADORA2A (0.47) ADORA2AADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 — — US disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 — — EP disclosed