SCHEMBL13394072

SCHEMBL13394072

Nc1cccc(Cn2c3ncnc4c(ncn4Cc4ccccc4NO)c-3nc2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PIK3CD O00329 10/20 0.40
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39

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
SCHEMBL13394063 0.91 PIK3CD (0.41) ADORA2AADORA1PIK3CD
SCHEMBL15214785 0.90 PIK3CD (0.37) ADORA2APIK3CDPI4KAPI4K2BPI4K2A
SCHEMBL12112243 0.90 PIK3CD (0.40) ADORA2AADORA1PIK3CD
SCHEMBL12112249 0.89 SLC29A1 (0.43) ADORA2AADORA1PIK3CDPI4KAPI4K2B
SCHEMBL12112237 0.82 PDE4A (0.42) ADORA2AADORA1PIK3CD
SCHEMBL15214783 0.82 PDE4A (0.41) PIK3CD
SCHEMBL12112229 0.80 SLC29A1 (0.43) ADORA2APIK3CDPI4KAPI4K2BPI4K2A
SCHEMBL12112236 0.79 PIK3CD (0.47) ADORA2AADORA1PIK3CD
SCHEMBL12112250 0.79 PIK3CD (0.37) ADORA2APIK3CDPI4KAPI4K2BPI4K2A
SCHEMBL12112232 0.79 PIK3CD (0.39) ADORA2APIK3CDPI4KAPI4K2BPI4K2A

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-2010039187-A2 FUSED DIIMIDAZODIAZEPINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-04-08 — — WO disclosed
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