SCHEMBL6537827

SCHEMBL6537827

O=C(Nc1cccc2c(-n3c(=O)[nH]c4ccccc43)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.44
TYK2 P29597 4/20 0.44
JAK1 P23458 2/20 0.44
HSP90AA1 P07900 4/20 0.43
KDR P35968 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGA4 P13612 1/20 0.40
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
EPHB3 P54753 1/20 0.39
AURKA O14965 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL6537868 0.78 LCK (0.44) JAK2TYK2JAK1KDRPABPC1
SCHEMBL6537471 0.77 TYK2 (0.47) JAK2TYK2JAK1KDRITGB1
SCHEMBL6538073 0.76 TYK2 (0.56) JAK2TYK2JAK1KDRHTT
SCHEMBL6537999 0.75 TYK2 (0.43) JAK2TYK2JAK1KDRHTT
SCHEMBL6537733 0.75 TYK2 (0.45) JAK2TYK2JAK1KDRITGB1
SCHEMBL6537421 0.75 TYK2 (0.46) JAK2TYK2JAK1KDRHTT
SCHEMBL6537977 0.75 LCK (0.44) JAK2TYK2JAK1KDRHTT
SCHEMBL6537488 0.74 CYP3A4 (0.48) JAK2TYK2JAK1KDRHTT
SCHEMBL6538268 0.73 TYK2 (0.45) JAK2TYK2JAK1KDRITGB1
SCHEMBL6537723 0.73 JAK2 (0.45) JAK2TYK2JAK1HSP90AA1KDR

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