SCHEMBL6537822

SCHEMBL6537822

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(Cl)c2c1N1CCN(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.37
MAPK14 Q16539 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
NR3C1 P04150 1/20 0.35
CCR8 P51685 1/20 0.35
WDR5 P61964 1/20 0.34
TYK2 P29597 3/20 0.34
RAB9A P51151 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 1/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6538279 0.94 TP53 (0.38) LCKMAPK14TP53MAPTNR3C1
SCHEMBL1230631 0.88 MAPT (0.39) LCKMAPK14TP53MAPTNR3C1
SCHEMBL6538210 0.84 TP53 (0.38) LCKMAPK14TP53MAPTNR3C1
SCHEMBL6537830 0.83 TYK2 (0.40) LCKMAPK14TP53MAPTWDR5
SCHEMBL6537304 0.83 PTGES (0.36) LCKMAPK14TP53MAPTHTT
SCHEMBL6538108 0.81 MAPT (0.42) TP53MAPTTYK2RAB9AJAK2
SCHEMBL6537705 0.79 MEN1 (0.37) LCKMAPK14TP53MAPTTYK2
SCHEMBL6537573 0.78 TYK2 (0.43) TP53MAPTNR3C1TYK2RAB9A
SCHEMBL6538154 0.77 MAPT (0.38) LCKMAPK14TP53MAPTCCR8
SCHEMBL6536321 0.77 CYP3A4 (0.48) TP53MAPTTYK2RAB9AJAK2

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
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed