SCHEMBL21731313

SCHEMBL21731313

NNc1ccc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc1N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.40
▸ ADORA1 P30542 5/20 0.40
▸ ADORA3 P0DMS8 3/20 0.40
▸ ADORA2B P29275 4/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ TNK2 Q07912 1/20 0.33

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
SCHEMBL21731217 0.82 MEN1 (0.44) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL21731064 0.79 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21731073 0.79 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL24488498 0.77 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL21731010 0.77 ADORA2A (0.66) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21731117 0.77 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL21731119 0.77 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21731050 0.77 ADORA2A (0.64) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL21731011 0.76 ADORA1 (0.48) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL21731205 0.75 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2BMEN1

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-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 — — EP disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 — — EP disclosed
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