SCHEMBL6537396

SCHEMBL6537396

CN1CCCN(c2ccnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.41
JAK2 O60674 9/20 0.41
JAK1 P23458 7/20 0.41
WNT3 P56703 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
AURKA O14965 1/20 0.36
CDK9 P50750 1/20 0.36
JAK3 P52333 1/20 0.36
KIF18A Q8NI77 1/20 0.36
LCK P06239 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
SCHEMBL6538350 0.94 TYK2 (0.43) TYK2JAK2JAK1KDRMAPT
SCHEMBL6537733 0.84 TYK2 (0.45) TYK2JAK2JAK1KDRMAPT
SCHEMBL6538120 0.84 TYK2 (0.41) TYK2JAK2JAK1WNT3KDR
SCHEMBL6537738 0.84 TYK2 (0.41) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537750 0.83 TYK2 (0.42) TYK2JAK2JAK1KDRMAPT
SCHEMBL6537812 0.83 TYK2 (0.40) TYK2JAK2JAK1MAPTTP53
SCHEMBL6538157 0.82 TYK2 (0.39) TYK2JAK2JAK1MAPTMEN1
SCHEMBL6537471 0.82 TYK2 (0.47) TYK2JAK2JAK1KDRMAPT
SCHEMBL6537830 0.82 TYK2 (0.40) TYK2JAK2JAK1KDRMAPT
SCHEMBL6538139 0.80 SCD (0.43) TYK2JAK2JAK1KDRHTT

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 2 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