SCHEMBL8090352

SCHEMBL8090352

O=c1nc(N=Nc2cc[nH]c(=O)n2)cc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
JAK2 O60674 1/20 0.31
RPS6KA3 P51812 1/20 0.31
MELK Q14680 1/20 0.31
STK24 Q9Y6E0 1/20 0.31
PARP1 P09874 1/20 0.31
AXL P30530 1/20 0.31
NUDT1 P36639 1/20 0.31
CRBN Q96SW2 1/20 0.31
MMP2 P08253 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL14817198 0.87 DYRK1A (0.34) DYRK1AADORA2AADORA1JAK2RPS6KA3
SCHEMBL16848045 0.87 DYRK1A (0.31) DYRK1AADORA2AADORA1
SCHEMBL29941895 0.84
SCHEMBL19732336 0.82 KDM4E (0.34) ADORA2AADORA1
SCHEMBL17804439 0.82
SCHEMBL27635298 0.82
SCHEMBL10335890 0.82
SCHEMBL546384 0.82
SCHEMBL18114359 0.79 DYRK1A (0.31) DYRK1AADORA2AADORA1
SCHEMBL10335896 0.77 ADORA2A (0.33) DYRK1AADORA2AADORA1

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
EP-0994163-A1 Metal complex pigments BAYER AG (DE) 2000-04-19 EP disclosed