SCHEMBL8560579

SCHEMBL8560579

CCOc1cc2c(Nc3ccccc3OC)ccnc2nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
THRB P10828 1/20 0.52
MAPK10 P53779 2/20 0.47
KDR P35968 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
EGFR P00533 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PTPN11 Q06124 1/20 0.43
MAPT P10636 2/20 0.42
DHFR P00374 1/20 0.42
AURKA O14965 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41

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 SCHEMBL8563700 0.99 POLB (0.51) POLBTHRBMAPK10KDRSMN1; SMN2
SCHEMBL8558937 0.83 ADRA1D (0.44) POLBTHRBKDRGAAHPGD
SCHEMBL8559967 0.82 PDGFRA (0.48) POLBEGFRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8561797 0.82 ADRA1D (0.44) POLBTHRBKDRGAAHPGD
Hydrochloric Acid SCHEMBL8566059 0.81 HTT (0.50) POLBEGFRMEN1KMT2AMAPT
Water SCHEMBL8328226 0.81 PDGFRA (0.47) POLBEGFRMEN1KMT2AMAPT
SCHEMBL8560347 0.80 ERBB2 (0.52) POLBTHRBKDRSMN1; SMN2TP53
SCHEMBL8327617 0.79 GRM5 (0.45) POLBTHRBMAPK10TP53MEN1
SCHEMBL810355 0.79 PIK3CA (0.40) POLBTHRBMAPK10EGFRMEN1
Hydrochloric Acid SCHEMBL8566240 0.79 ERBB2 (0.51) POLBTHRBKDRSMN1; SMN2TP53

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-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