SCHEMBL6537474

SCHEMBL6537474

CN1CCN(c2c(CO)cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)C1=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.36
MAPK14 Q16539 1/20 0.36
JAK2 O60674 5/20 0.35
TYK2 P29597 3/20 0.35
JAK1 P23458 2/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KDR P35968 1/20 0.34
POLB P06746 1/20 0.34
SLC16A3 O15427 1/20 0.34
MAPT P10636 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CDK14 O94921 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
SCHEMBL6537953 0.91 PTGES (0.37) LCKMAPK14JAK2TYK2JAK1
SCHEMBL6537705 0.90 MEN1 (0.37) LCKMAPK14JAK2TYK2JAK1
SCHEMBL6538154 0.89 MAPT (0.38) LCKMAPK14JAK2TYK2JAK1
SCHEMBL6537656 0.87 MEN1 (0.32) LCKMAPK14JAK2TYK2JAK1
SCHEMBL6537963 0.81 PTGES (0.37) LCKMAPK14JAK2TYK2JAK1
SCHEMBL6537657 0.81 PTGES (0.37) LCKMAPK14JAK2TYK2JAK1
SCHEMBL6537750 0.81 TYK2 (0.42) JAK2TYK2JAK1HTTSMN1; SMN2
SCHEMBL6537499 0.80 KMT2A (0.35) LCKMAPK14HTTSMN1; SMN2MEN1
SCHEMBL6538210 0.79 TP53 (0.38) LCKMAPK14JAK2TYK2JAK1
SCHEMBL1230631 0.79 MAPT (0.39) LCKMAPK14JAK2TYK2JAK1

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