SCHEMBL6537573

SCHEMBL6537573

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(Cl)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.43
RAB9A P51151 1/20 0.43
JAK2 O60674 6/20 0.43
JAK1 P23458 5/20 0.43
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL6537938 0.93 TYK2 (0.43) TYK2RAB9AJAK2JAK1CYP3A4
SCHEMBL6537674 0.84 TYK2 (0.46) TYK2RAB9AJAK2JAK1CYP3A4
SCHEMBL6537651 0.81 RAB9A (0.39) TYK2RAB9AJAK2JAK1CYP3A4
SCHEMBL6537860 0.81 KMT2A (0.40) TYK2RAB9AJAK2JAK1CYP3A4
SCHEMBL6537350 0.81 TYK2 (0.49) TYK2RAB9AJAK2JAK1CYP3A4
SCHEMBL6537390 0.80 TYK2 (0.53) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL6536321 0.80 CYP3A4 (0.48) TYK2RAB9AJAK2JAK1CYP3A4
SCHEMBL8474035 0.79 ALDH1A1 (0.41) TYK2JAK2JAK1CYP3A4HTT
SCHEMBL6538056 0.78 TYK2 (0.40) TYK2RAB9AJAK2JAK1CYP3A4
SCHEMBL6537640 0.78 TYK2 (0.43) TYK2RAB9AJAK2JAK1CYP3A4

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