SCHEMBL5168342

SCHEMBL5168342

Cc1ccn2c(NC3CCCCC3)c(-c3ccccc3)nc2c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.82
ALDH1A1 P00352 7/20 0.79
GAA P10253 5/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
MAPT P10636 4/20 0.79
GFER P55789 3/20 0.79
LMNA P02545 2/20 0.71
KDM4E B2RXH2 2/20 0.71
MAPK1 P28482 2/20 0.71
HTT P42858 1/20 0.71
TSHR P16473 1/20 0.70
ADORA1 P30542 1/20 0.69
RAB9A P51151 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ATM Q13315 2/20 0.66
TP53 P04637 2/20 0.64
BACE1 P56817 1/20 0.64
BRD4 O60885 1/20 0.57

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 SCHEMBL5167314 0.99 ALOX5 (0.80) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2977613 0.90 ALOX5 (1.00) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5167009 0.89 ALDH1A1 (0.98) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5165535 0.88 GAA (0.74) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2992153 0.87 ALOX5 (0.84) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2985882 0.87 ALOX5 (0.84) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5166419 0.86 ALOX5 (0.68) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5167149 0.84 ALDH1A1 (0.66) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5166652 0.84 GAA (0.98) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5164949 0.84 ALDH1A1 (0.66) ALOX5ALDH1A1GAASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
WO-2009027077-A2 5-ARYLALKYLIDENE-2-ARYLALKYL-THIAZOL-4-ONE DERIVATIVES AS INHIBITORS OF 5-LIPOXYGENASE AND USES THEREOF JOHANN WOLFGANG GOETHE-UNIVERSITÄT, FRANKFURT AM MAIN (DE) 2009-03-05 WO disclosed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO disclosed