SCHEMBL6537876

SCHEMBL6537876

NC(=O)Cc1c(Cl)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.43
TYK2 P29597 6/20 0.43
JAK1 P23458 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.39
HDAC2 Q92769 3/20 0.39
CDK1 P06493 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
NCOR1 O75376 1/20 0.39
KDR P35968 1/20 0.39
SLC16A3 O15427 1/20 0.38
PABPC1 P11940 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
SCHEMBL6538276 0.91 JAK2 (0.44) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537856 0.89 TYK2 (0.40) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6538205 0.88 JAK2 (0.39) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537864 0.84 POLB (0.45) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6538112 0.84 MAPT (0.43) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537729 0.81 SLC16A3 (0.40) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537873 0.81 JAK2 (0.42) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537581 0.80 SLC16A3 (0.42) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537345 0.79 TYK2 (0.47) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537402 0.79 JAK2 (0.43) 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