SCHEMBL6537563

SCHEMBL6537563

CNCCNc1c(COC)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.40
RAB9A P51151 1/20 0.36
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
TYK2 P29597 3/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6537831 0.89 PTGES (0.40) PTGESPDCD1CD274TYK2JAK2
SCHEMBL6537737 0.85 PTGES (0.44) PTGESRAB9APDCD1CD274TYK2
SCHEMBL6537929 0.83 PTGES (0.38) PTGESRAB9APDCD1CD274TYK2
SCHEMBL6537719 0.80 PTGES (0.40) PTGESTYK2JAK2JAK1MEN1
SCHEMBL6538250 0.80 TYK2 (0.47) RAB9ATYK2JAK2JAK1KDM4E
SCHEMBL6537516 0.78 SMN1; SMN2 (0.34) PTGESRAB9APDCD1CD274TYK2
SCHEMBL6538366 0.77 CYP3A4 (0.43) PTGESTYK2JAK2JAK1
SCHEMBL6538191 0.77 RAB9A (0.40) RAB9ATYK2JAK2JAK1MEN1
SCHEMBL6538217 0.76 PTGES (0.37) PTGESPDCD1CD274TYK2JAK2
SCHEMBL6538208 0.76 PTGES (0.42) PTGESTYK2JAK2JAK1MEN1

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