SCHEMBL6002950

SCHEMBL6002950

Cc1ccc(Oc2ccnc3ccc(OCCN4CCOCC4)cc23)c(-c2ncccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.44
FGFR2 P21802 1/20 0.44
MAOA P21397 1/20 0.44
NPC1 O15118 1/20 0.43
BTK Q06187 2/20 0.43
TEC P42680 1/20 0.43
TXK P42681 1/20 0.43
BLK P51451 1/20 0.43
BMX P51813 1/20 0.43
ERBB4 Q15303 1/20 0.43
AXL P30530 1/20 0.42
ACHE P22303 1/20 0.42
GRM4 Q14833 1/20 0.42
TGFBR1 P36897 1/20 0.42
TGFBR2 P37173 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 1/20 0.41
LTA4H P09960 1/20 0.41
RUNX1 Q01196 1/20 0.41

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
SCHEMBL6005314 0.82 HRH3 (0.49)
SCHEMBL6004922 0.82 SLC22A12 (0.39) METMAOABTKAXLTGFBR1
SCHEMBL6004262 0.82 ALDH1A1 (0.36) METAXLTGFBR1KDM4EALDH1A1
SCHEMBL6004162 0.82 ALDH1A1 (0.36) METFGFR2AXLTGFBR1ALDH1A1
SCHEMBL6005251 0.81 PDE2A (0.39) METBTKAXLTGFBR1EGFR
SCHEMBL6004825 0.81 SLC6A2 (0.52) MAOAACHE
SCHEMBL6005366 0.78 PDGFRB (0.36) METFGFR2AXLTGFBR1
SCHEMBL6004251 0.78 TGFBR1 (0.39) BTKAXLACHETGFBR1EGFR
SCHEMBL6004285 0.78 CYP3A4 (0.46) MAOANPC1MEN1KMT2AKDM4E
SCHEMBL6004932 0.77 IRAK4 (0.39) MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed