SCHEMBL7090838

SCHEMBL7090838

CC(C)c1nc2c([nH]1)c(=O)[nH]c(=O)n2Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.50
PNP P00491 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PSMD14 O00487 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CXCL8 P10145 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
TYMS P04818 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
USP1 O94782 1/20 0.39
BRD4 O60885 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL7088426 0.88 TLR7 (0.48) TLR7TYMSUSP1GSK3B
SCHEMBL7676540 0.88 BRD4 (0.51) TLR7PNPMEN1KMT2AHPGD
SCHEMBL7088461 0.83 TLR7 (0.50) TLR7PNPMEN1KMT2AKDM4E
SCHEMBL11017605 0.78 ADORA2A (0.51) HPGDADORA3ADORA2AADORA2B
SCHEMBL8002150 0.78 TRAP1 (0.40) TLR7KDM4EHTTTYMSGSK3B
SCHEMBL5226057 0.76 ADORA2A (0.56) HPGDADORA3ADORA2AADORA2B
SCHEMBL7680197 0.76 TLR7 (0.48) TLR7MEN1KMT2AHPGDTSHR
SCHEMBL7426524 0.75 KMT2A (0.43) MEN1KMT2AHPGDTSHRBRD4
SCHEMBL7865169 0.75 TLR7 (0.36) TLR7HPGDHTTTYMSADORA3
SCHEMBL7090943 0.72 TLR7 (0.48) TLR7KMT2AKDM4EHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814809-B1 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 2003-08-13 EP disclosed
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed