SCHEMBL8327641

SCHEMBL8327641

CCOc1cc2c(Nc3cc[c]cc3)ccnc2nc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
EGFR P00533 5/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
PTK6 Q13882 2/20 0.35
RIPK2 O43353 3/20 0.35
GAK O14976 3/20 0.35
COQ8A Q8NI60 2/20 0.35
NLK Q9UBE8 2/20 0.35
BMPR1B O00238 1/20 0.35
EPHB6 O15197 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
EPHA1 P21709 1/20 0.35
EPHA8 P29322 1/20 0.35
ACVR1 Q04771 1/20 0.35
MAP2K5 Q13163 1/20 0.35
MAPK10 P53779 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
Water SCHEMBL8328226 0.86 PDGFRA (0.47) POLBEGFRPTK6RIPK2GAK
SCHEMBL8567323 0.86 MAPKAPK2 (0.46) POLBTHRBEGFRPTK6RIPK2
SCHEMBL8559967 0.85 PDGFRA (0.48) POLBEGFRPTK6RIPK2GAK
Hydrochloric Acid SCHEMBL8566059 0.84 HTT (0.50) POLBEGFRPTK6RIPK2GAK
SCHEMBL8561272 0.82 GAK (0.37) POLBTHRBEGFRPIK3C3PTK6
Hydrochloric Acid SCHEMBL8330400 0.82 PIK3CA (0.39) POLBTHRBEGFRPIK3C3PTK6
SCHEMBL8560347 0.82 ERBB2 (0.52) POLBTHRBEGFRPTK6RIPK2
Hydrochloric Acid SCHEMBL8560744 0.81 GAK (0.36) POLBTHRBEGFRPIK3C3PTK6
SCHEMBL810355 0.81 PIK3CA (0.40) POLBTHRBEGFRPIK3C3PTK6
Hydrochloric Acid SCHEMBL8566240 0.81 ERBB2 (0.51) POLBTHRBEGFRPTK6RIPK2

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
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed