SCHEMBL6537682

SCHEMBL6537682

O=C(O)COc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.47
JAK2 O60674 9/20 0.47
JAK1 P23458 4/20 0.47
HIF1A Q16665 1/20 0.44
KDR P35968 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 2/20 0.41
PLEC Q15149 1/20 0.41
MEN1 O00255 2/20 0.40
MCL1 Q07820 1/20 0.40
SLC16A3 O15427 1/20 0.40
APP P05067 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6537785 0.87 TYK2 (0.44) TYK2JAK2JAK1KDRKDM4E
SCHEMBL6538096 0.87 PPIA (0.49) TYK2JAK2JAK1KDRKDM4E
SCHEMBL6537386 0.86 MAPT (0.51) TYK2JAK2JAK1KDRKDM4E
SCHEMBL6537958 0.85 SMN1; SMN2 (0.48) TYK2JAK2JAK1KDRKDM4E
SCHEMBL6537597 0.85 HSD17B10 (0.55) TYK2JAK2JAK1KDRHPGD
SCHEMBL6537947 0.84 TYK2 (0.46) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL8475365 0.84 JAK2 (0.47) TYK2JAK2JAK1KDRKDM4E
SCHEMBL6537462 0.84 TYK2 (0.49) TYK2JAK2JAK1KDRKDM4E
SCHEMBL6537318 0.82 TYK2 (0.43) TYK2JAK2JAK1KDRKDM4E
SCHEMBL6538073 0.81 TYK2 (0.56) TYK2JAK2JAK1KDRKDM4E

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