SCHEMBL2301663

SCHEMBL2301663

Nc1cc(Cl)nc(OC(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
SLC6A2 P23975 1/20 0.33
SCN4A P35499 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 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
SCHEMBL11955179 0.81 PGK1 (0.33) PGK1KCNN3
SCHEMBL7808650 0.81 KMT2A (0.50) RAB9ASMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL13172417 0.78 TRPV1 (0.34) PGK1GAAKCNN3MAPTKDM4E
SCHEMBL2301904 0.77 IGF1R (0.32) PGK1KCNN3
SCHEMBL16635330 0.77 LOXL2 (0.38) PGK1KCNN3
SCHEMBL20606959 0.77 MAPT (0.50) SMN1; SMN2USP2CYP1A2CYP2C9ALOX15
SCHEMBL13194452 0.77 KCNN3 (0.39) PGK1RAB9ASMN1; SMN2KCNN3
SCHEMBL7807011 0.76 ATF1 (0.34) PGK1NFKB1KMT2AMEN1KCNN3
SCHEMBL2685253 0.75 HSP90AA1 (0.43) NPC1RAB9ASMN1; SMN2TP53CYP3A4
SCHEMBL29983622 0.75 HSP90AA1 (0.43) NPC1RAB9ASMN1; SMN2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 EP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
EP-2350008-B1 METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES BAYER CROPSCIENCE AG (DE) 2012-09-05 EP disclosed
EP-2350008-A1 METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES Bayer CropScience AG (DE) 2011-08-03 EP disclosed
WO-2010040461-A1 METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES BAYER CROPSCIENCE AG (DE) 2010-04-15 WO disclosed