SCHEMBL13394063

SCHEMBL13394063

CNc1ccccc1Cn1cnc2c3nc(=O)n(Cc4cccc(N)c4)c-3ncnc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.41
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ PDE5A O76074 2/20 0.41
▸ PDE1A P54750 2/20 0.41
▸ PDE1B Q01064 2/20 0.41
▸ PDE3B Q13370 2/20 0.41
▸ PDE1C Q14123 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ YTHDC1 Q96MU7 2/20 0.40

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
SCHEMBL13394072 0.91 ADORA2A (0.41) PIK3CDADORA2AADORA1
SCHEMBL12112237 0.91 PDE4A (0.42) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL15214783 0.90 PDE4A (0.41) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL12112249 0.89 SLC29A1 (0.43) PIK3CDADORA2AADORA1YTHDC1
SCHEMBL12112243 0.83 PIK3CD (0.40) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL15214785 0.82 PIK3CD (0.37) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL12112236 0.81 PIK3CD (0.47) PIK3CDADORA2AADORA1
SCHEMBL13394115 0.80 PIK3CD (0.41) PIK3CDADORA2AADORA1
SCHEMBL16123777 0.80 PIK3CD (0.41) PIK3CDADORA2AADORA1
SCHEMBL12112232 0.79 PIK3CD (0.39) PIK3CDADORA2A

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
Send feedback