SCHEMBL3801732

SCHEMBL3801732

CCn1nccc1-c1ccc(Sc2cc(C3(C#N)CCOCC3)ccc2OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PDE4A P27815 13/20 0.36
PDE4B Q07343 13/20 0.36
PDE4C Q08493 13/20 0.36
PDE4D Q08499 13/20 0.36
FGFR1 P11362 2/20 0.34
FGFR4 P22455 2/20 0.34
PIK3CD O00329 2/20 0.33
TNF P01375 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL332825 0.89 ALOX5 (0.49) ALOX5PDE4APDE4BPDE4CPDE4D
SCHEMBL332537 0.71 ALOX5 (0.74) ALOX5PDE4APDE4BPDE4CPDE4D
SCHEMBL332725 0.71 ALOX5 (0.53) ALOX5PIK3CD
SCHEMBL332555 0.66 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL3655644 0.66 ALOX5 (0.42) ALOX5LRRK2
SCHEMBL3660567 0.65 ALOX5 (0.46) ALOX5PIK3CD
SCHEMBL333095 0.65 ALOX5 (0.63) ALOX5PIK3CD
SCHEMBL20028646 0.64 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7586503 0.64 PDE4B (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL20028645 0.63 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D

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-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO disclosed