SCHEMBL31309594

SCHEMBL31309594

CC(C)(O)c1cn2cc(Br)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.51
MAP3K5 Q99683 1/20 0.47
MCHR1 Q99705 2/20 0.45
APP P05067 5/20 0.44
GAA P10253 1/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL1500059 0.86 PIK3CG (0.55) PIK3CGMAP3K5MCHR1APPGAA
SCHEMBL31309514 0.83 PIK3CG (0.51) PIK3CGMAP3K5MCHR1APPGAA
SCHEMBL516957 0.79 PIK3CG (0.55) PIK3CGMAP3K5MCHR1APPGAA
SCHEMBL31528488 0.77 KDM4E (0.40) MCHR1GAARAB9ANPC1SMN1; SMN2
SCHEMBL1500308 0.76 PIK3CG (0.47) PIK3CGMAP3K5APPGAARAB9A
SCHEMBL1500284 0.73 RAB9A (0.45) PIK3CGMAP3K5APPGAARAB9A
SCHEMBL418021 0.72 PIK3CG (0.60) PIK3CGMAP3K5APPGAARAB9A
SCHEMBL23534439 0.69 MAP3K5 (0.47) PIK3CGMAP3K5APPGAARAB9A
SCHEMBL31309502 0.69 PIK3CG (0.51) PIK3CGMAP3K5MCHR1APPGAA
SCHEMBL1500263 0.69 PIK3CG (0.51) PIK3CGMAP3K5APPGAARAB9A

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
EP-4731207-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2026-04-29 EP disclosed
WO-2025006293-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2025-01-02 WO disclosed