SCHEMBL7961498

SCHEMBL7961498

Sc1nc2ncc(Br)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.37
DYRK1A Q13627 2/20 0.36
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4619840 0.77 KDM4E (0.39) MAPT
SCHEMBL2318862 0.77 NSD1 (0.47) HRH3SMN1; SMN2DYRK1ACHEK1AURKA
SCHEMBL31296525 0.77 HRH3 (0.43) HRH3SMN1; SMN2DYRK1ACHEK1AURKA
SCHEMBL4619770 0.77 SMN1; SMN2 (0.44) HRH3SMN1; SMN2DYRK1ACHEK1AURKA
SCHEMBL2315498 0.77 HRH3 (0.43) HRH3SMN1; SMN2DYRK1ACHEK1AURKA
SCHEMBL1761356 0.77 HRH3 (0.43) HRH3HTTALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL2583689 0.76 HRH3 (0.42) HRH3SMN1; SMN2DYRK1ACHEK1AURKA
SCHEMBL6339430 0.73 HRH3 (0.40) HRH3SMN1; SMN2DYRK1ACHEK1AURKA
SCHEMBL29304398 0.73 HRH3 (0.40) HRH3SMN1; SMN2DYRK1ACHEK1AURKA
SCHEMBL29304009 0.73 HRH3 (0.40) HRH3SMN1; SMN2DYRK1ACHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed