SCHEMBL6537706

SCHEMBL6537706

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.41
JAK2 O60674 5/20 0.41
JAK1 P23458 4/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ABL1 P00519 2/20 0.39
SRC P12931 2/20 0.39
TP53 P04637 1/20 0.38
PTGES O14684 1/20 0.38
CRHBP P24387 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
SCHEMBL6536777 0.86 GAA (0.43) TYK2JAK2JAK1MAPTKDM4E
SCHEMBL6538153 0.84 PTGES (0.41) TYK2JAK2JAK1KDM4ECYP3A4
SCHEMBL6537592 0.84 KMT2A (0.44) TYK2JAK2JAK1MAPTNR1H2
SCHEMBL6536825 0.83 MEN1 (0.42) TYK2JAK2JAK1NR1H2NR1H3
SCHEMBL6537674 0.83 TYK2 (0.46) TYK2JAK2JAK1MAPTLMNA
SCHEMBL6538040 0.82 MAPK10 (0.44) MAPTNR1H2NR1H3MEN1KMT2A
SCHEMBL6537792 0.82 GHSR (0.43) TYK2JAK2JAK1MAPTKDM4E
SCHEMBL6538019 0.82 ALDH1A1 (0.40) TYK2JAK2JAK1MAPTLMNA
SCHEMBL6538353 0.81 MAPT (0.41) TYK2JAK2JAK1MAPTLMNA
SCHEMBL6537627 0.81 PTGS2 (0.43) MAPTKDM4ELMNAMEN1KMT2A

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