SCHEMBL6537979

SCHEMBL6537979

C=Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1COC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 3/20 0.38
CDK14 O94921 7/20 0.38
CCNY Q8ND76 7/20 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
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
FGFR4 P22455 1/20 0.37
SLC16A3 O15427 1/20 0.36
PTGES O14684 2/20 0.36
HDAC3 O15379 1/20 0.35
NCOR1 O75376 1/20 0.35
CDK1 P06493 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
SCHEMBL6537967 0.86 JAK2 (0.41) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL6537534 0.86 JAK2 (0.41) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL6538209 0.86 MAPT (0.42) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6537692 0.86 MEN1 (0.40) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6537837 0.85 CDK14 (0.42) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL6537923 0.85 JAK2 (0.40) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL6538205 0.84 JAK2 (0.39) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL6538341 0.83 MEN1 (0.40) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6538090 0.82 TP53 (0.44) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL6538001 0.78 TP53 (0.39) MEN1KMT2APOLBJAK2JAK1

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