SCHEMBL7205370

SCHEMBL7205370

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
CNR1 P21554 1/20 0.40
TLR7 Q9NYK1 6/20 0.39
PRNP P04156 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
FBP1 P09467 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL7208654 0.90 TLR7 (0.39) TSHRNPSR1MAPK1CNR1TLR7
SCHEMBL7205410 0.89 MAPK1 (0.42) TSHRNPSR1MAPK1CNR1TLR7
SCHEMBL7209553 0.87 TSHR (0.44) TSHRNPSR1MAPK1TLR7ADORA2A
SCHEMBL7208531 0.86 ADORA2A (0.55) TSHRNPSR1MAPK1TLR7PRNP
SCHEMBL7208505 0.86 CNR1 (0.43) TSHRNPSR1MAPK1CNR1TLR7
SCHEMBL7208339 0.86 ADORA3 (0.48) TSHRNPSR1MAPK1CNR1TLR7
SCHEMBL7209948 0.86 TSHR (0.52) TSHRNPSR1MAPK1TLR7ADORA2A
SCHEMBL7205474 0.85 TSHR (0.45) TSHRNPSR1MAPK1TLR7ADORA2A
SCHEMBL7211816 0.85 TLR7 (0.44) TSHRNPSR1MAPK1TLR7ALDH1A1
SCHEMBL7210239 0.85 ABCB1 (0.50) TSHRNPSR1MAPK1ADORA2AADORA1

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