SCHEMBL9328945

SCHEMBL9328945

CSc1nc(N)n2nc(-c3ccc(Cl)o3)nc2n1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.64
ADORA2B P29275 6/20 0.64
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADORA2A P29274 8/20 0.41
ADORA1 P30542 5/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL9327287 0.86 ADORA3 (0.65) ADORA3ADORA2BNPC1RAB9AADORA2A
SCHEMBL9325959 0.84 ADORA3 (0.48) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9264847 0.78 ADORA3 (1.00) ADORA3ADORA2BADORA2AADORA1
SCHEMBL23840696 0.74 ADORA3 (0.64) ADORA3ADORA2BNPC1RAB9AADORA2A
SCHEMBL9325911 0.73 ADORA3 (0.62) ADORA3ADORA2BNPC1RAB9AADORA2A
SCHEMBL9327033 0.72 ADORA3 (0.51) ADORA3ADORA2BADORA2AADORA1
SCHEMBL9327337 0.71 ADORA2A (0.69) ADORA3ADORA2BADORA2AADORA1
SCHEMBL22638180 0.70 ADORA3 (0.62) ADORA3ADORA2BNPC1RAB9AADORA2A
SCHEMBL30427750 0.70 ADORA3 (0.58) ADORA3ADORA2BNPC1RAB9AADORA2A
SCHEMBL23291195 0.70 ADORA3 (0.58) ADORA3ADORA2BNPC1RAB9AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356894-A Adenosine antagonists SYNGENTA LIMITED (GB) 1994-10-18 US disclosed
US-5270311-A [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0459702-A1 Azole Derivatives ZENECA LIMITED (GB) 1991-12-04 EP disclosed