SCHEMBL8561272

SCHEMBL8561272

CCOc1cc2c(Nc3cc(C)c(O)c(C)c3)ccnc2nc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 7/20 0.37
RIPK2 O43353 6/20 0.37
COQ8A Q8NI60 6/20 0.37
NLK Q9UBE8 6/20 0.37
EGFR P00533 2/20 0.37
EPHB6 O15197 2/20 0.37
ABL1 P00519 2/20 0.37
ACVR1 Q04771 2/20 0.37
BMPR1B O00238 1/20 0.37
LCK P06239 1/20 0.37
SRC P12931 1/20 0.37
EPHA1 P21709 1/20 0.37
EPHA8 P29322 1/20 0.37
MAP2K5 Q13163 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35

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 SCHEMBL8560744 0.99 GAK (0.36) GAKRIPK2COQ8ANLKEGFR
SCHEMBL8566892 0.89 POLB (0.39) GAKRIPK2COQ8ANLKEGFR
SCHEMBL8567323 0.87 MAPKAPK2 (0.46) GAKRIPK2EGFRLCKMEN1
Hydrochloric Acid SCHEMBL8561018 0.87 POLB (0.38) GAKRIPK2COQ8ANLKEGFR
SCHEMBL9540620 0.86 HRH3 (0.46) RIPK2ABL1ACVR1LCKSRC
SCHEMBL8324401 0.84 POLB (0.37) GAKRIPK2COQ8ANLKEGFR
Hydrochloric Acid SCHEMBL8326683 0.83 POLB (0.36) GAKRIPK2COQ8ANLKEGFR
SCHEMBL8327641 0.82 POLB (0.37) GAKRIPK2COQ8ANLKEGFR
SCHEMBL8559967 0.81 PDGFRA (0.48) GAKRIPK2COQ8ANLKEGFR
Hydrochloric Acid SCHEMBL8566059 0.81 HTT (0.50) GAKRIPK2COQ8ANLKEGFR

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 4 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