SCHEMBL6537856

SCHEMBL6537856

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.40
JAK2 O60674 7/20 0.40
JAK1 P23458 5/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC16A3 O15427 1/20 0.38
CDK1 P06493 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
NCOR1 O75376 1/20 0.37
HDAC1 Q13547 1/20 0.37
CYP3A4 P08684 1/20 0.36
KDR P35968 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6537581 0.91 SLC16A3 (0.42) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6537729 0.91 SLC16A3 (0.40) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6537876 0.89 JAK2 (0.43) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6537435 0.88 MEN1 (0.40) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6537711 0.88 TYK2 (0.42) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6537622 0.88 TYK2 (0.42) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6538162 0.86 SLC16A3 (0.42) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6538125 0.86 SLC16A3 (0.41) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6537772 0.86 TYK2 (0.42) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6537806 0.85 JAK2 (0.40) TYK2JAK2JAK1MEN1KMT2A

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