SCHEMBL8490281

SCHEMBL8490281

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.44
TYK2 P29597 8/20 0.43
JAK2 O60674 6/20 0.43
JAK1 P23458 5/20 0.43
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
CDK1 P06493 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
NCOR1 O75376 1/20 0.41
SLC16A3 O15427 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 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
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 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
SCHEMBL6537772 0.87 TYK2 (0.42) TYK2JAK2JAK1HDAC2HDAC3
SCHEMBL6537687 0.86 TYK2 (0.43) TYK2JAK2JAK1HDAC2HDAC3
SCHEMBL6538343 0.86 SLC16A3 (0.46) HAVCR2TYK2JAK2JAK1SLC16A3
SCHEMBL8489326 0.86 HAVCR2 (0.46) HAVCR2TYK2JAK2JAK1HDAC2
SCHEMBL6537711 0.85 TYK2 (0.42) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537622 0.85 TYK2 (0.42) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537856 0.84 TYK2 (0.40) TYK2JAK2JAK1HDAC2HDAC3
SCHEMBL6537931 0.84 TYK2 (0.41) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537619 0.84 MEN1 (0.47) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537581 0.84 SLC16A3 (0.42) TYK2JAK2JAK1HDAC2HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999021835-A1 QUINOLINE DERIVATIVES AS H+-ATPase INHIBITORS AND AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed