SCHEMBL6537703

SCHEMBL6537703

CCOC(=O)CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.41
TSHR P16473 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
EGFR P00533 1/20 0.41
FGFR1 P11362 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL8471791 0.91 MAOB (0.47) JAK2JAK1TYK2JAK3MAPT
SCHEMBL6537645 0.82 KDR (0.43) JAK2JAK1TYK2MAPTLMNA
SCHEMBL6537739 0.82 P2RY12 (0.49) JAK2JAK1TYK2JAK3MAPT
SCHEMBL6538309 0.81 PTGES (0.48) JAK2JAK1TYK2MAPTLMNA
SCHEMBL6537950 0.81 KDR (0.48) JAK2JAK1TYK2MAPTLMNA
SCHEMBL6537152 0.80 MAPT (0.45) MAPTLMNAPOLBTP53SMN1; SMN2
SCHEMBL6537149 0.80 MAPT (0.45) MAPTLMNAPOLBTP53SMN1; SMN2
SCHEMBL6537320 0.80 KDR (0.47) JAK2JAK1TYK2MAPTLMNA
SCHEMBL6538180 0.80 DGAT2 (0.44) JAK2JAK1TYK2JAK3MAPT
SCHEMBL6537481 0.79 MAPT (0.46) JAK2JAK1TYK2JAK3MAPT

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