SCHEMBL6928523

SCHEMBL6928523

COc1ccc2nc(Cl)c3nc(-c4ccccc4)n(CCC4CCNCC4)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.42
ACP1 P24666 2/20 0.41
PDE6D O43924 3/20 0.39
CLK4 Q9HAZ1 2/20 0.38
DYRK3 O43781 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK4 Q9NR20 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
AVPR1B P47901 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6923151 0.90 ACP1 (0.47) NPY1RACP1PDE6DALDH1A1LMNA
SCHEMBL6927586 0.89 NPY1R (0.39) NPY1RACP1PDE6DALDH1A1LMNA
SCHEMBL6930321 0.88 NPY1R (0.43) NPY1RACP1PDE6DLMNAHIF1A
SCHEMBL7493968 0.88 ACP1 (0.40) NPY1RACP1PDE6DCLK4DYRK3
SCHEMBL6925914 0.86 NPY1R (0.44) NPY1RACP1PDE6DALDH1A1LMNA
Hydrochloric Acid SCHEMBL6923145 0.85 NPY1R (0.43) NPY1RACP1PDE6DAVPR2AVPR1A
SCHEMBL6924891 0.85 DYRK3 (0.40) NPY1RACP1CLK4DYRK3CLK1
SCHEMBL6922923 0.82 NPY1R (0.41) NPY1RACP1PDE6DALDH1A1AVPR2
SCHEMBL7489689 0.82 ACP1 (0.40) NPY1RACP1PDE6DCLK4DYRK3
SCHEMBL6926458 0.81 NPY1R (0.41) NPY1RPDE6DALDH1A1CYP3A4HSD17B10

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
US-6518265-B1 1H-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2003-02-11 US disclosed
EP-1104764-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-06-06 EP disclosed