SCHEMBL6537783

SCHEMBL6537783

CC(C)(Oc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.44
JAK2 O60674 6/20 0.44
JAK1 P23458 5/20 0.44
KDR P35968 2/20 0.42
MAPT P10636 5/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6537597 0.83 HSD17B10 (0.55) TYK2JAK2JAK1KDRMAPT
SCHEMBL6537462 0.80 TYK2 (0.49) TYK2JAK2JAK1KDRMAPT
SCHEMBL6537958 0.80 SMN1; SMN2 (0.48) TYK2JAK2JAK1KDRMAPT
SCHEMBL8475365 0.78 JAK2 (0.47) TYK2JAK2JAK1KDRMAPT
SCHEMBL6537682 0.78 TYK2 (0.47) TYK2JAK2JAK1KDRMAPT
SCHEMBL6538073 0.78 TYK2 (0.56) TYK2JAK2JAK1KDRMAPT
SCHEMBL6538163 0.77 NR4A2 (0.57) TYK2JAK2JAK1KDRMAPT
SCHEMBL6538084 0.77 TYK2 (0.53) TYK2JAK2JAK1KDRMAPT
SCHEMBL6537785 0.77 TYK2 (0.44) TYK2JAK2JAK1KDRMAPT
SCHEMBL6538096 0.77 PPIA (0.49) TYK2JAK2JAK1KDRMAPT

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 2 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