SCHEMBL7209948

SCHEMBL7209948

CSc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TLR7 Q9NYK1 8/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PTBP1 P26599 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CREBBP Q92793 1/20 0.43
HSP90AA1 P07900 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
SCHEMBL7205474 0.89 TSHR (0.45) TSHRNPSR1ALDH1A1POLBMAPT
SCHEMBL7209553 0.89 TSHR (0.44) TSHRNPSR1ALDH1A1POLBMAPT
SCHEMBL7210558 0.88 TSHR (0.43) TSHRNPSR1ALDH1A1POLBMAPT
SCHEMBL7211567 0.88 TSHR (0.44) TSHRNPSR1ALDH1A1POLBMAPT
SCHEMBL7208505 0.88 CNR1 (0.43) TSHRNPSR1ALDH1A1POLBMAPT
SCHEMBL7209500 0.87 ALDH1A1 (0.45) TSHRNPSR1ALDH1A1HSD17B10TLR7
SCHEMBL7208339 0.87 ADORA3 (0.48) TSHRNPSR1ALDH1A1POLBTLR7
SCHEMBL7211816 0.87 TLR7 (0.44) TSHRNPSR1ALDH1A1HPGDHSD17B10
SCHEMBL7210239 0.86 ABCB1 (0.50) TSHRNPSR1ALDH1A1MAPTADORA2A
SCHEMBL7210266 0.86 ADORA2A (0.61) TSHRNPSR1ALDH1A1POLBMAPT

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-1035123-B1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMA (JP) 2003-08-20 EP disclosed
US-6329381-B1 INTERFERONS, VIRICIDES AND ANTICARCINOGENIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1035123-A1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP disclosed