SCHEMBL6537962

SCHEMBL6537962

O=C(Nc1cccc2c(Cl)c(Br)cnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.46
JAK2 O60674 4/20 0.46
JAK1 P23458 2/20 0.46
CYP3A4 P08684 1/20 0.43
MCL1 Q07820 1/20 0.42
KDR P35968 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.39
SLC16A3 O15427 1/20 0.39
F2R P25116 1/20 0.39

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
SCHEMBL6537933 0.88 TYK2 (0.44) TYK2JAK2JAK1CYP3A4MCL1
SCHEMBL6538082 0.85 JAK2 (0.43) TYK2JAK2JAK1CYP3A4MCL1
SCHEMBL6537402 0.85 JAK2 (0.43) TYK2JAK2JAK1CYP3A4MCL1
SCHEMBL6537674 0.85 TYK2 (0.46) TYK2JAK2JAK1CYP3A4KDR
SCHEMBL6537873 0.84 JAK2 (0.42) TYK2JAK2JAK1CYP3A4MCL1
SCHEMBL6537957 0.84 TYK2 (0.44) TYK2JAK2JAK1CYP3A4MCL1
SCHEMBL6538034 0.84 TYK2 (0.45) TYK2JAK2JAK1CYP3A4MCL1
SCHEMBL8476104 0.84 HAVCR2 (0.50) TYK2JAK2JAK1CYP3A4KDR
SCHEMBL6537791 0.83 JAK2 (0.41) TYK2JAK2JAK1CYP3A4MCL1
SCHEMBL6538287 0.82 JAK2 (0.44) TYK2JAK2JAK1CYP3A4KDR

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