SCHEMBL15214782

SCHEMBL15214782

N=Nc1ccc(Cn2c3ncnc4c(ncn4Cc4ccc(N=N)cc4)c-3nc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ SLC29A1 Q99808 4/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ FGFR1 P11362 5/20 0.38
▸ FGFR4 P22455 5/20 0.38
▸ DAPK1 P53355 1/20 0.37
▸ PDE10A Q9Y233 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
SCHEMBL16123784 0.86 SLC29A1 (0.46) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL15214759 0.86 CYP51A1 (0.37) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL13394054 0.85 SLC29A1 (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL13394148 0.85 SLC29A1 (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL15214750 0.85 ADORA2A (0.41) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL13394123 0.85 HDAC6 (0.43) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL15214751 0.85 PDE10A (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL13394062 0.83 PDE10A (0.52) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL15214136 0.83 PDE10A (0.41) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12112171 0.83 MEN1 (0.47) ADORA2ASLC29A1HDAC6FGFR1FGFR4

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
US-8518901-B2 Fused diimidazodiazepine compounds and methods of use and manufacture thereof THE JOHNS HOPKINS UNIVERSITY (US) 2013-08-27 — — US disclosed
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