SCHEMBL6538409

SCHEMBL6538409

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.51
JAK2 O60674 10/20 0.51
JAK1 P23458 7/20 0.51
KDR P35968 2/20 0.46
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
CYP3A4 P08684 1/20 0.45
PABPC1 P11940 1/20 0.43
EIF4H Q15056 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL6537794 0.89 TYK2 (0.50) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538073 0.85 TYK2 (0.56) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538163 0.82 NR4A2 (0.57) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538084 0.82 TYK2 (0.53) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537989 0.82 TYK2 (0.51) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538161 0.81 TYK2 (0.52) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537668 0.81 TYK2 (0.55) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538203 0.81 TYK2 (0.55) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537462 0.81 TYK2 (0.49) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537461 0.80 TYK2 (0.57) TYK2JAK2JAK1KDRCYP3A4

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