SCHEMBL8577844

SCHEMBL8577844

Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O.Nc1nc(N)nc(N)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.74
CSNK2A2 P19784 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56
ADORA2A P29274 8/20 0.52
CSNK1A1 P48729 2/20 0.52
CSNK1D P48730 2/20 0.52
CSNK1G1 Q9HCP0 2/20 0.52
MAOA P21397 2/20 0.52
FGR P09769 1/20 0.52
PIM1 P11309 1/20 0.52
DYRK1A Q13627 1/20 0.52
HIPK2 Q9H2X6 1/20 0.52
POLB P06746 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL29390741 0.86 THRB (1.00) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL125495 0.86 THRB (1.00) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29378892 0.86 THRB (1.00) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL14750382 0.74 THRB (0.74) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10355771 0.72 ADORA2A (0.73) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11146282 0.72 CSNK2A2 (1.00) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10356104 0.72 ADORA2A (0.73) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL504614 0.72 CSNK2A2 (1.00) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10355794 0.72 MEN1 (0.73) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9619698 0.72 THRB (0.70) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3

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-1998016621-A2 MICROCAPSULES WARWICK INTERNATIONAL GROUP LIMITED (GB) 1998-04-23 WO disclosed