SCHEMBL4039658

SCHEMBL4039658

NC(=O)Oc1cc2ncccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.50
ATAD2 Q6PL18 1/20 0.46
HRH4 Q9H3N8 1/20 0.43
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD3 P35462 2/20 0.36
DRD2 P14416 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.35
SNCA P37840 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RBP4 P02753 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL4036808 0.86 DAO (0.51) DAOATAD2HRH4CNR2DRD3
SCHEMBL27631818 0.84 DAO (0.50) DAOATAD2HRH4CNR2DRD3
SCHEMBL4039329 0.80 ATAD2 (0.49) DAOATAD2HRH4CNR2MEN1
SCHEMBL27738193 0.78 DAO (0.51) DAOATAD2HRH4CNR2MEN1
SCHEMBL29362530 0.76 HRH4 (0.56) DAOATAD2HRH4CNR2DRD3
SCHEMBL1194081 0.76 HRH4 (0.56) DAOATAD2HRH4CNR2DRD3
SCHEMBL3092620 0.75 ATAD2 (0.53) DAOATAD2HRH4DRD3MAPT
Bromide SCHEMBL31707091 0.74 HRH4 (0.55) DAOATAD2HRH4CNR2DRD3
Bromide SCHEMBL31706580 0.74 HRH4 (0.55) DAOATAD2HRH4CNR2DRD3
SCHEMBL3836490 0.73 FLT3 (0.50) DAOMEN1KMT2AMAPTALDH1A1

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-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed