SCHEMBL5813982

SCHEMBL5813982

CC(C)c1cc2ccn(C)c(=O)c2c(N2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.39
KDM5A P29375 1/20 0.34
ALDH1A1 P00352 9/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
MAT2A P31153 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.33
CRHR1 P34998 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPY5R Q15761 1/20 0.33
TSHR P16473 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
GRM2 Q14416 1/20 0.32
ACKR3 P25106 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
SCHEMBL5816427 0.84 GRM2 (0.35) SYKKDM5AALDH1A1KDM4EMAPT
SCHEMBL4788702 0.82 GRM2 (0.36) KDM5AKDM4EMAPTMAPK1HSD17B10
SCHEMBL5814919 0.81 KDM5A (0.33) KDM5AALDH1A1KDM4EMAPTHTT
SCHEMBL4747371 0.80 NPC1 (0.34) SYKALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL4747891 0.80 SYK (0.39) SYKALDH1A1KDM4EMAPTMAT2A
SCHEMBL5820088 0.80 SYK (0.39) SYKALDH1A1KDM4EMAPTMAT2A
SCHEMBL4749987 0.77 EGFR (0.42) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4750208 0.77 JAK2 (0.43) KDM5AALDH1A1KDM4EMAPTMAT2A
SCHEMBL17986898 0.67 HRH4 (0.42) SYKMAPTNPY5R
SCHEMBL4747717 0.66 GRM2 (0.36) SYKALDH1A1KDM4EMAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO disclosed