SCHEMBL9540620

SCHEMBL9540620

CCOc1cc2c(Nc3cc(C)c(O)c(C)c3)ccnc2nc1C.CCOc1cc2c(Nc3ccc(OCCN(CC)CC)cc3)ccnc2nc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
LCK P06239 2/20 0.39
KDR P35968 8/20 0.39
SRC P12931 3/20 0.39
ESR1 P03372 2/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
WEE1 P30291 2/20 0.37
RIPK2 O43353 1/20 0.36
ACVR1 Q04771 1/20 0.36
NOD2 Q9HC29 1/20 0.36

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
SCHEMBL8568868 0.93 HRH3 (0.49) HRH3LCKKDRSRCESR1
Hydrochloric Acid SCHEMBL8561027 0.91 HRH3 (0.48) HRH3LCKKDRSRCESR1
SCHEMBL8561272 0.86 GAK (0.37) LCKSRCABL1RIPK2ACVR1
Hydrochloric Acid SCHEMBL8560744 0.85 GAK (0.36) LCKKDRSRCABL1RIPK2
SCHEMBL8567323 0.79 MAPKAPK2 (0.46) LCKKDRRIPK2
SCHEMBL8559967 0.78 PDGFRA (0.48) LCKSRCABL1RIPK2ACVR1
Water SCHEMBL8328226 0.77 PDGFRA (0.47) LCKRIPK2
Hydrochloric Acid SCHEMBL8566059 0.77 HTT (0.50) LCKRIPK2
SCHEMBL8566892 0.76 POLB (0.39) LCKSRCABL1RIPK2ACVR1
SCHEMBL8560347 0.76 ERBB2 (0.52) KDRRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed