SCHEMBL6537837

SCHEMBL6537837

C=Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK14 O94921 11/20 0.42
CCNY Q8ND76 11/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
AKR1B1 P15121 1/20 0.40
CDK1 P06493 3/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39

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
SCHEMBL6538205 0.92 JAK2 (0.39) CDK14CCNYJAK2JAK1TYK2
SCHEMBL6537967 0.90 JAK2 (0.41) CDK14CCNYJAK2JAK1TYK2
SCHEMBL6537534 0.90 JAK2 (0.41) CDK14CCNYJAK2JAK1TYK2
SCHEMBL6537923 0.88 JAK2 (0.40) CDK14CCNYJAK2JAK1TYK2
SCHEMBL6538209 0.88 MAPT (0.42) CDK14CCNYJAK2JAK1TYK2
SCHEMBL6538276 0.88 JAK2 (0.44) CDK14CCNYJAK2JAK1TYK2
SCHEMBL6537979 0.85 MEN1 (0.39) CDK14CCNYJAK2JAK1TYK2
SCHEMBL6537873 0.84 JAK2 (0.42) CDK14CCNYJAK2JAK1TYK2
SCHEMBL6537581 0.83 SLC16A3 (0.42) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL6537633 0.83 POLB (0.52) KMT2AHTTSMN1; SMN2ALDH1A1HPGD

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