SCHEMBL6538375

SCHEMBL6538375

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK14 O94921 4/20 0.38
CCNY Q8ND76 4/20 0.38
POLB P06746 1/20 0.37
PTGES O14684 1/20 0.36
PLK1 P53350 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL6538126 0.90 PDCD1 (0.40) SLC16A3JAK2JAK1TYK2TMEM97
SCHEMBL6537806 0.90 JAK2 (0.40) SLC16A3JAK2JAK1TYK2TMEM97
SCHEMBL6538125 0.89 SLC16A3 (0.41) SLC16A3JAK2JAK1TYK2TMEM97
SCHEMBL6537689 0.88 SLC16A3 (0.40) SLC16A3JAK2JAK1TYK2TMEM97
SCHEMBL6537729 0.87 SLC16A3 (0.40) SLC16A3JAK2JAK1TYK2TMEM97
SCHEMBL6538162 0.87 SLC16A3 (0.42) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6537622 0.86 TYK2 (0.42) SLC16A3JAK2JAK1TYK2TMEM97
SCHEMBL6537711 0.86 TYK2 (0.42) SLC16A3JAK2JAK1TYK2TMEM97
SCHEMBL6537787 0.85 PDCD1 (0.44) SLC16A3JAK2JAK1TYK2TMEM97
SCHEMBL6537581 0.85 SLC16A3 (0.42) SLC16A3JAK2JAK1TYK2MEN1

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