SCHEMBL9213889

SCHEMBL9213889

Cc1nc2c(Br)cnn2c(Cl)c1CCCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.36
CDK2 P24941 4/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ABL1 P00519 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
SCHEMBL14013827 0.88 KDM5A (0.42) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL9215707 0.86 DPP4 (0.34) CDK2CCNA2CCNA1KDM5AKDM4C
SCHEMBL11931245 0.81 L3MBTL1 (0.49) GSK3BKDM4EHSD17B10TSHRSMN1; SMN2
SCHEMBL9205154 0.81 KDM5A (0.54) CDK2KDM5AKDM4CKDM4EHSD17B10
SCHEMBL8207281 0.80 KDM4E (0.55) KDM4EHSD17B10GAATSHRSMN1; SMN2
SCHEMBL8185805 0.77 POLB (0.40) KDM4EHSD17B10GAATSHRSMN1; SMN2
SCHEMBL14013828 0.77 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2MEN1MAPT
SCHEMBL5826567 0.76 MAPT (0.37) KDM4EHSD17B10GAATSHRSMN1; SMN2
SCHEMBL11931282 0.76 GSK3B (0.36) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL8191387 0.76 TP53 (0.57) KDM4EHSD17B10GAATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508549-B1 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO CO (JP) 1995-04-26 EP disclosed
EP-0347252-B1 METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1993-05-05 EP disclosed
EP-0508549-A2 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO COMPANY LIMITED (JP) 1992-10-14 EP disclosed
US-5086057-A METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1992-02-04 US disclosed
US-5055479-A For enhancing activity of lipoprotein lipase enzymes SANKYO COMPANY, LIMITED (JP) 1991-10-08 US disclosed