SCHEMBL4967417

SCHEMBL4967417

Nc1cccnc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.46
FEN1 P39748 5/20 0.46
LRRK2 Q5S007 4/20 0.43
JAK3 P52333 2/20 0.42
FFAR4 Q5NUL3 3/20 0.41
GRM4 Q14833 1/20 0.40
PDE5A O76074 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MCHR1 Q99705 2/20 0.39

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
SCHEMBL9574598 0.98 ALOX5AP (0.47) ALOX5APFEN1LRRK2JAK3FFAR4
SCHEMBL20240553 0.96 ALOX5AP (0.46) ALOX5APFEN1LRRK2JAK3FFAR4
SCHEMBL31702258 0.93 ALOX5AP (0.43) ALOX5APFEN1GRM4
SCHEMBL20687907 0.93 ALOX5AP (0.43) ALOX5APFEN1GRM4
SCHEMBL2369803 0.85 GRM4 (0.40) ALOX5APFEN1GRM4
Hydrochloric Acid SCHEMBL4714047 0.85 FEN1 (0.50) ALOX5APFEN1GRM4
SCHEMBL29445482 0.85 GRM4 (0.53) ALOX5APFEN1LRRK2GRM4
SCHEMBL20689383 0.85 ALOX5AP (0.42) ALOX5APFEN1LRRK2GRM4
SCHEMBL1936639 0.85 GRM4 (0.53) ALOX5APFEN1LRRK2GRM4
Hydrochloric Acid SCHEMBL4714045 0.85 FEN1 (0.50) ALOX5APFEN1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899319-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
WO-2006135649-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed