SCHEMBL6537556

SCHEMBL6537556

O=C(Nc1cccc2c(NCCNCc3ccccc3)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
TYK2 P29597 3/20 0.46
JAK1 P23458 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RPS6KB1 P23443 2/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
KDR P35968 1/20 0.42
GHSR Q92847 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL6537375 0.89 CCNC (0.48) JAK2TYK2JAK1SMN1; SMN2KDM4E
SCHEMBL6537338 0.86 SMN1; SMN2 (0.50) JAK2TYK2JAK1SMN1; SMN2KDM4E
SCHEMBL6537677 0.84 SMN1; SMN2 (0.52) JAK2TYK2JAK1SMN1; SMN2KDM4E
SCHEMBL6538010 0.83 SMN1; SMN2 (0.52) JAK2TYK2JAK1SMN1; SMN2KDM4E
SCHEMBL6538110 0.83 TYK2 (0.51) JAK2TYK2JAK1SMN1; SMN2KDM4E
SCHEMBL6538018 0.82 JAK2 (0.48) JAK2TYK2JAK1ALDH1A1HTT
SCHEMBL6537898 0.81 SMN1; SMN2 (0.70) JAK2TYK2JAK1SMN1; SMN2KDM4E
SCHEMBL6538261 0.80 SLC40A1 (0.55) JAK2TYK2JAK1SMN1; SMN2KDM4E
SCHEMBL8486949 0.80 MEN1 (0.54) JAK2TYK2JAK1SMN1; SMN2KDM4E
SCHEMBL6537858 0.78 JAK2 (0.44) JAK2TYK2JAK1SMN1; SMN2KDM4E

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