SCHEMBL3350940

SCHEMBL3350940

CC(Cc1ccccn1)c1cc2c(N)nc(-c3ncco3)nc2s1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.56
ADORA1 P30542 20/20 0.56

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
SCHEMBL3344536 0.82 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL3350946 0.82 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL3344910 0.81 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL13389563 0.81 ADORA2A (0.76) ADORA2AADORA1
SCHEMBL3348932 0.80 ADORA2A (0.64) ADORA2AADORA1
Hydrochloric Acid SCHEMBL3301978 0.80 ADORA2A (0.74) ADORA2AADORA1
SCHEMBL3305365 0.80 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL13389504 0.80 ADORA2A (0.59) ADORA2AADORA1
Hydrochloric Acid SCHEMBL3302096 0.79 ADORA2A (0.58) ADORA2AADORA1
Hydrochloric Acid SCHEMBL3348889 0.78 ADORA2A (0.64) ADORA2AADORA1

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-2010045015-A1 HETEROARYL SUBSTITUTED THIENO[2,3-D]PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed