SCHEMBL6537733

SCHEMBL6537733

O=C(Nc1cccc2c(N3CCCNC3=O)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.45
JAK2 O60674 7/20 0.45
JAK1 P23458 5/20 0.45
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ROS1 P08922 1/20 0.37
ALK Q9UM73 1/20 0.37
RPS6KA3 P51812 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37

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
SCHEMBL6537471 0.94 TYK2 (0.47) TYK2JAK2JAK1AURKAKDR
SCHEMBL6537396 0.84 TYK2 (0.41) TYK2JAK2JAK1AURKAKDR
SCHEMBL6538350 0.82 TYK2 (0.43) TYK2JAK2JAK1KDRHTT
SCHEMBL6538120 0.80 TYK2 (0.41) TYK2JAK2JAK1KDRHTT
SCHEMBL6537750 0.79 TYK2 (0.42) TYK2JAK2JAK1KDRHTT
SCHEMBL6538139 0.78 SCD (0.43) TYK2JAK2JAK1KDRHTT
SCHEMBL6538073 0.77 TYK2 (0.56) TYK2JAK2JAK1KDRHTT
SCHEMBL6537888 0.77 TYK2 (0.41) TYK2JAK2JAK1AURKAKDR
SCHEMBL6537421 0.76 TYK2 (0.46) TYK2JAK2JAK1KDRHTT
SCHEMBL6538379 0.76 TYK2 (0.43) TYK2JAK2JAK1AURKAKDR

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