SCHEMBL6537402

SCHEMBL6537402

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.43
TYK2 P29597 5/20 0.43
JAK1 P23458 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP3A4 P08684 1/20 0.39
MCL1 Q07820 1/20 0.39
KDR P35968 1/20 0.39
SLC16A3 O15427 1/20 0.38
F2R P25116 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6538082 0.91 JAK2 (0.43) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537873 0.90 JAK2 (0.42) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537791 0.89 JAK2 (0.41) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537692 0.86 MEN1 (0.40) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537821 0.86 TYK2 (0.39) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537962 0.85 TYK2 (0.46) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537790 0.84 TAS1R3 (0.42) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537389 0.84 POLB (0.43) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537933 0.83 TYK2 (0.44) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537957 0.82 TYK2 (0.44) JAK2TYK2JAK1KMT2AMEN1

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