SCHEMBL6537487

SCHEMBL6537487

O=C(O)Cc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.49
JAK2 O60674 9/20 0.49
JAK1 P23458 4/20 0.49
KDR P35968 1/20 0.44
SLC16A3 O15427 1/20 0.44
CXCL8 P10145 2/20 0.43
AKR1B10 O60218 1/20 0.43
UGT1A9 O60656 1/20 0.43
TRPA1 O75762 1/20 0.43
ABCB11 O95342 1/20 0.43
MT-CO2 P00403 1/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
UGT1A6 P19224 1/20 0.43
UGT1A1 P22309 1/20 0.43
PTGS1 P23219 1/20 0.43
CXCR1 P25024 1/20 0.43
ADRA1A P35348 1/20 0.43
PTGS2 P35354 1/20 0.43
AGTR2 P50052 1/20 0.43

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
SCHEMBL6538161 0.89 TYK2 (0.52) TYK2JAK2JAK1KDRSLC16A3
SCHEMBL6537642 0.87 TYK2 (0.50) TYK2JAK2JAK1KDRSLC16A3
SCHEMBL6537664 0.85 POLB (0.45) TYK2JAK2JAK1KDRMAPT
SCHEMBL6537928 0.84 TYK2 (0.47) TYK2JAK2JAK1KDRSLC16A3
SCHEMBL6538073 0.83 TYK2 (0.56) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537365 0.83 TYK2 (0.46) TYK2JAK2JAK1KDRSLC16A3
SCHEMBL6538276 0.82 JAK2 (0.44) TYK2JAK2JAK1KDRSLC16A3
SCHEMBL6537682 0.81 TYK2 (0.47) TYK2JAK2JAK1KDRSLC16A3
SCHEMBL6537511 0.81 KDM4E (0.44) TYK2JAK2JAK1KMT2A
SCHEMBL6537581 0.81 SLC16A3 (0.42) TYK2JAK2JAK1SLC16A3CXCL8

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