SCHEMBL8559967

SCHEMBL8559967

CCOc1cc2c(Nc3ccc(OC)cc3)ccnc2nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.48
HTT P42858 1/20 0.48
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
FGFR2 P21802 1/20 0.43
EGFR P00533 3/20 0.43
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
GAK O14976 3/20 0.42
RIPK2 O43353 3/20 0.42
COQ8A Q8NI60 3/20 0.42
NLK Q9UBE8 3/20 0.42
PTK6 Q13882 1/20 0.42
RAB9A P51151 2/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
Hydrochloric Acid SCHEMBL8566059 0.99 HTT (0.50) PDGFRAHTTPDE4BPDE4DFGFR2
Water SCHEMBL8328226 0.99 PDGFRA (0.47) PDGFRAHTTPDE4BPDE4DFGFR2
SCHEMBL8560347 0.88 ERBB2 (0.52) HTTFGFR2EGFRPOLBRAD52
SCHEMBL8567323 0.87 MAPKAPK2 (0.46) PDGFRAEGFRPOLBGAKRIPK2
Hydrochloric Acid SCHEMBL8566240 0.87 ERBB2 (0.51) HTTFGFR2EGFRPOLBRAD52
SCHEMBL8558937 0.86 ADRA1D (0.44) FGFR2POLBGAKRIPK2COQ8A
SCHEMBL8565860 0.86 POLB (0.54) PDE4BPDE4DPOLBRAD52RAB9A
Hydrochloric Acid SCHEMBL8561797 0.85 ADRA1D (0.44) FGFR2POLBGAKRIPK2COQ8A
Hydrochloric Acid SCHEMBL8567040 0.85 LMNA (0.54) PDE4BPDE4DPOLBRAD52RAB9A
SCHEMBL8327641 0.85 POLB (0.37) PDGFRAPDE4DEGFRPOLBGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP claimed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO claimed
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed