SCHEMBL7486137

SCHEMBL7486137

COc1cccc(-c2cc(N)n3nc(-c4ccco4)nc3c2)c1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.54

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
SCHEMBL7709135 0.90 ADORA2A (0.58) ADORA2A
SCHEMBL7705941 0.88 ADORA2A (0.51) ADORA2A
SCHEMBL7487423 0.86 ADORA2A (0.56) ADORA2A
SCHEMBL7489489 0.86 ADORA2A (0.58) ADORA2A
SCHEMBL7478262 0.86 ADORA2A (0.56) ADORA2A
SCHEMBL7709129 0.85 ADORA2A (0.56) ADORA2A
SCHEMBL7703244 0.85 DPP4 (0.47) ADORA2A
SCHEMBL7708864 0.85 TDO2 (0.41) ADORA2A
SCHEMBL7487041 0.85 ADORA2A (0.51) ADORA2A
SCHEMBL7485299 0.84 ADORA2A (0.56) ADORA2A

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
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US claimed
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed