SCHEMBL4750208

SCHEMBL4750208

CC(C)c1cc2cc[nH]c(=O)c2c(N2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.35
NPY5R Q15761 1/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
BTK Q06187 1/20 0.35
KDM5A P29375 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAT2A P31153 2/20 0.34
DAO P14920 1/20 0.33
ZAP70 P43403 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
IP6K1 Q92551 1/20 0.33
CHEK1 O14757 1/20 0.32

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
SCHEMBL5814327 0.80 JAK2 (0.43) JAK2JAK3SCN10AMAT2ADAO
SCHEMBL4747249 0.80 JAK2 (0.43) JAK2JAK3NPY5RSCN10AKDM4E
SCHEMBL5813982 0.77 SYK (0.39) NPY5RKDM5AKDM4EMAT2AMAPK1
SCHEMBL5816427 0.74 GRM2 (0.35) NPY5RKDM5AKDM4EMAPK1ALDH1A1
SCHEMBL5814919 0.72 KDM5A (0.33) KDM5AKDM4EALDH1A1MAPTHPGD
SCHEMBL4747371 0.71 NPC1 (0.34) NPY5RKDM4EMAPK1ALDH1A1MAPT
SCHEMBL1158384 0.71 HDAC6 (0.41) JAK2JAK3ZAP70HPGD
SCHEMBL6526413 0.70 MAP3K12 (0.47) JAK2ZAP70
SCHEMBL4788702 0.70 GRM2 (0.36) KDM5AKDM4EMAPK1MAPTHSD17B10
SCHEMBL1159802 0.69 EGFR (0.39) JAK2BTKZAP70

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
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO claimed
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO disclosed