SCHEMBL22493360

SCHEMBL22493360

CCCc1ccnc(C(=O)CBr)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
HRH4 Q9H3N8 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL6170563 0.73 KDM4E (0.39) PTPN1GSK3BMAPT
SCHEMBL21181779 0.71 HRH4 (0.34) MAPTHRH4
SCHEMBL27554810 0.70 GSK3B (0.38) PTPN1GSK3BMAPT
Bromide SCHEMBL6169293 0.69 GSK3B (0.37) PTPN1GSK3BMAPT
SCHEMBL18374711 0.67 PRKCI (0.34) PPARGPPARA
SCHEMBL29365642 0.67 CTNNB1 (0.51) PTPN1GSK3BMAPT
SCHEMBL4366167 0.67 CTNNB1 (0.51) PTPN1GSK3BMAPT
SCHEMBL6110659 0.66 KDM4E (0.46) PTPN1GSK3BMAPT
Bromide SCHEMBL4353378 0.66 CTNNB1 (0.50) PTPN1GSK3BMAPT
SCHEMBL6170342 0.64 GSK3B (0.41) PTPN1GSK3BMAPT

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-2020198466-A9 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020198466-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed