SCHEMBL6537674

SCHEMBL6537674

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.46
JAK2 O60674 4/20 0.46
JAK1 P23458 3/20 0.46
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41

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
SCHEMBL8489326 0.88 HAVCR2 (0.46) TYK2JAK2JAK1RAB9AMAPT
SCHEMBL6537345 0.86 TYK2 (0.47) TYK2JAK2JAK1RAB9AMAPT
SCHEMBL6537770 0.85 TYK2 (0.43) TYK2JAK2JAK1RAB9AMAPT
SCHEMBL6537962 0.85 TYK2 (0.46) TYK2JAK2JAK1TP53CYP3A4
SCHEMBL8487107 0.84 TYK2 (0.42) TYK2JAK2JAK1RAB9AMAPT
SCHEMBL6537938 0.84 TYK2 (0.43) TYK2JAK2JAK1RAB9AMAPT
SCHEMBL6538034 0.84 TYK2 (0.45) TYK2JAK2JAK1CYP3A4HTT
SCHEMBL6537573 0.84 TYK2 (0.43) TYK2JAK2JAK1RAB9AMAPT
SCHEMBL8476104 0.84 HAVCR2 (0.50) TYK2JAK2JAK1MAPTTP53
SCHEMBL8490225 0.83 TYK2 (0.41) TYK2JAK2JAK1RAB9AMAPT

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