SCHEMBL6537748

SCHEMBL6537748

NC(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.c1cc2ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.48
JAK2 O60674 8/20 0.48
JAK1 P23458 4/20 0.48
KDR P35968 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
CYP3A4 P08684 1/20 0.40
ESR1 P03372 1/20 0.38
ESRRG P62508 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
MAP4K4 O95819 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
CLK4 Q9HAZ1 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
SCHEMBL8472633 0.88 TYK2 (0.49) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6538207 0.85 TYK2 (0.51) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6537480 0.85 TYK2 (0.48) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6538304 0.83 TYK2 (0.52) TYK2JAK2JAK1KDRALDH1A1
Dimethylamine SCHEMBL8474406 0.83 TYK2 (0.49) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6537924 0.83 TYK2 (0.50) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6538041 0.83 TYK2 (0.49) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6537767 0.83 TYK2 (0.53) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6537668 0.83 TYK2 (0.55) TYK2JAK2JAK1KDRALDH1A1
Hydrochloric Acid SCHEMBL6538361 0.83 JAK2 (0.49) TYK2JAK2JAK1KDRALDH1A1

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