SCHEMBL6537464

SCHEMBL6537464

Cc1cc(NC(=O)c2c(Cl)cccc2Cl)c2nccc(NN)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 15/20 0.46
JAK2 O60674 12/20 0.46
JAK1 P23458 8/20 0.46
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 2/20 0.42
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK9 P50750 1/20 0.40
JAK3 P52333 1/20 0.40
NPC1 O15118 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
SCHEMBL6537512 0.89 TYK2 (0.48) TYK2JAK2JAK1MAPTTP53
SCHEMBL6538173 0.86 TYK2 (0.48) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537731 0.86 TYK2 (0.47) TYK2JAK2JAK1MAPTTP53
SCHEMBL6538091 0.84 TYK2 (0.43) TYK2JAK2JAK1MAPTTP53
SCHEMBL6538087 0.82 TYK2 (0.51) TYK2JAK2JAK1MAPTCYP3A4
SCHEMBL6536340 0.81 TYK2 (0.50) TYK2JAK2JAK1RAB9ACDK9
SCHEMBL6537653 0.79 TYK2 (0.47) TYK2JAK2JAK1MAPTRAB9A
SCHEMBL6537668 0.79 TYK2 (0.55) TYK2JAK2JAK1MAPTCYP3A4
SCHEMBL6537684 0.79 CYP3A4 (0.48) TYK2JAK2JAK1CYP3A4
SCHEMBL6537972 0.78 TYK2 (0.52) TYK2JAK2JAK1CYP3A4CDK9

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 3 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
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