SCHEMBL7210306

SCHEMBL7210306

Nc1nc(Sc2ccc3ccccc3c2)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MCL1 Q07820 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
HPGD P15428 1/20 0.38
TLR7 Q9NYK1 8/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7210558 0.89 TSHR (0.43) NPSR1MAPK1TSHRMAPTADORA2A
SCHEMBL7205651 0.86 ADORA2A (0.55) NPSR1MAPK1TSHRMAPTLMNA
SCHEMBL7209443 0.86 TSHR (0.45) NPSR1MAPK1TSHRMAPTKDM4E
SCHEMBL7209948 0.83 TSHR (0.52) NPSR1MAPK1TSHRMAPTLMNA
SCHEMBL7206458 0.81 MAPK1 (0.45) NPSR1MAPK1TSHRMAPTADORA2A
SCHEMBL7208339 0.81 ADORA3 (0.48) NPSR1MAPK1TSHRLMNAADORA2A
SCHEMBL7210239 0.80 ABCB1 (0.50) NPSR1MAPK1TSHRMAPTADORA2A
SCHEMBL7209553 0.80 TSHR (0.44) NPSR1MAPK1TSHRMAPTKDM4E
SCHEMBL5730847 0.80 TLR7 (0.43) MAPK1KMT2AADORA2AADORA1TLR7
SCHEMBL3874062 0.79 MAPK1 (0.56) NPSR1MAPK1TSHRKDM4EADORA2A

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