SCHEMBL7479538

SCHEMBL7479538

O=C(Cl)c1cccc2[nH]c(-c3ccncc3)nc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 7/20 0.75
PKN2 Q16513 7/20 0.75
PLK4 O00444 1/20 0.75
MAPK13 O15264 1/20 0.75
DYRK3 O43781 1/20 0.75
ROCK2 O75116 1/20 0.75
RPS6KA5 O75582 1/20 0.75
PRKD3 O94806 1/20 0.75
MAP4K4 O95819 1/20 0.75
CHEK2 O96017 1/20 0.75
PIM1 P11309 1/20 0.75
PHKG2 P15735 1/20 0.75
PRKACA P17612 1/20 0.75
RPS6KB1 P23443 1/20 0.75
CSNK1D P48730 1/20 0.75
CLK2 P49760 1/20 0.75
GSK3A P49840 1/20 0.75
PRKX P51817 1/20 0.75
PRKCZ Q05513 1/20 0.75
STK3 Q13188 1/20 0.75

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
SCHEMBL7474958 0.87 PKN1 (0.77) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL6809991 0.86 PKN1 (1.00) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL6805685 0.85 PKN1 (0.77) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL505315 0.84 DHODH (0.82) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL25220279 0.82 PKN1 (1.00) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL30440938 0.82 PKN1 (1.00) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL6810422 0.79 PKN1 (0.76) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL1298432 0.76 DHODH (0.94) PARP1DHODH
SCHEMBL30440661 0.76 PKN1 (0.66) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL25217212 0.76 PKN1 (0.66) PKN1PKN2PLK4MAPK13DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed