SCHEMBL6537635

SCHEMBL6537635

CCNCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 12/20 0.43
JAK2 O60674 10/20 0.43
JAK1 P23458 6/20 0.43
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTT P42858 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NSD2 O96028 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
AURKA O14965 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
SCHEMBL6537840 0.90 TYK2 (0.44) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537338 0.85 SMN1; SMN2 (0.50) TYK2JAK2JAK1MAPTSMN1; SMN2
SCHEMBL6538173 0.82 TYK2 (0.48) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537350 0.81 TYK2 (0.49) TYK2JAK2JAK1MAPTTP53
SCHEMBL8474994 0.81 TYK2 (0.46) TYK2JAK2JAK1MAPTSMN1; SMN2
SCHEMBL6537912 0.81 TYK2 (0.46) TYK2JAK2JAK1MAPTTP53
SCHEMBL6538091 0.78 TYK2 (0.43) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537777 0.77 HTR1A (0.44) TYK2JAK2JAK1MAPTSMN1; SMN2
SCHEMBL6537971 0.75 RAB9A (0.39) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537677 0.75 SMN1; SMN2 (0.52) TYK2JAK2JAK1MAPTSMN1; SMN2

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