SCHEMBL7215328

SCHEMBL7215328

Cn1c(=O)[nH]c2c(Cl)nc(-c3ccccc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45
BLM P54132 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 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
SCHEMBL13875830 0.75 CHRNB2 (0.49) NPSR1KDM4EHSD17B10LMNAKMT2A
SCHEMBL7212031 0.72 ADORA3 (0.58) KDM4CADORA2AADORA2BKDM4EADORA3
SCHEMBL13548768 0.71 LMNA (0.49) KDM4CKDM4EADORA3ADORA1LMNA
SCHEMBL6889649 0.71 ADORA2B (0.69) ADORA2AADORA2BNPSR1KDM4ECYP1A2
SCHEMBL5434692 0.69 KDM4E (0.56) KDM4CADORA2AADORA2BNPSR1KDM4E
SCHEMBL13550291 0.68 LMNA (0.42) KDM4CADORA2AKDM4EADORA3LMNA
SCHEMBL21823080 0.67 RXFP1 (0.54) KDM4CADORA2AADORA2BKDM4EADORA3
SCHEMBL13548723 0.67 LMNA (0.47) ADORA2ANPSR1KDM4EADORA3ADORA1
SCHEMBL7057695 0.66 KDM4E (0.62) ADORA2AADORA2BNPSR1KDM4EHSD17B10
SCHEMBL1373850 0.65 LMNA (0.68) ADORA2AADORA2BKDM4ECYP1A2ADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036794-B1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2003-08-27 EP disclosed
US-6372740-B1 NERVOUS SYSTEM DISORDERS, ANTIEPILEPTIC AGENTS AND ANTIDEPRESSANTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-04-16 US disclosed
EP-1036794-A1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 2000-09-20 EP disclosed