SCHEMBL3655161

SCHEMBL3655161

O=C(OCCc1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.72
ADORA2B P29275 19/20 0.72

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
SCHEMBL3755887 0.86 ADORA2A (0.77) ADORA2AADORA2B
SCHEMBL3659004 0.85 ADORA2B (0.82) ADORA2AADORA2B
SCHEMBL3749902 0.83 ADORA2A (0.77) ADORA2AADORA2B
SCHEMBL3661085 0.82 ADORA2A (0.83) ADORA2AADORA2B
SCHEMBL3751198 0.81 ADORA2A (0.76) ADORA2AADORA2B
SCHEMBL13052127 0.81 ADORA2A (0.86) ADORA2AADORA2B
SCHEMBL3658521 0.80 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL24261170 0.79 ADORA2A (0.68) ADORA2AADORA2B
SCHEMBL20771909 0.79 ADORA2A (0.63) ADORA2AADORA2B
SCHEMBL3749931 0.79 ADORA2A (1.00) ADORA2AADORA2B

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
EP-2207780-A1 THIENOPYRIMIDINE COMPOUNDS AND COMPOSITIONS Vernalis (R&D) Ltd. (GB) 2010-07-21 EP disclosed
WO-2009037468-A1 THIENOPYRIMIDINE COMPOUNDS AND COMPOSITIONS VERNALIS (R & D) LTD. (GB) 2009-03-26 WO disclosed