SCHEMBL2338360

SCHEMBL2338360

O=C(O)Nc1c(F)cccc1I

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 3/20 0.41
NLRP3 Q96P20 1/20 0.41
RAB9A P51151 4/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2095077 0.86 KMT2A (0.62) KMT2AALDH1A1MEN1NLRP3RAB9A
SCHEMBL20560179 0.83 KMT2A (0.43) PTGS2KMT2AALDH1A1MEN1NLRP3
SCHEMBL30254352 0.80 L3MBTL1 (0.42) PTGS2KMT2AALDH1A1MEN1RAB9A
SCHEMBL23885108 0.80 L3MBTL1 (0.42) PTGS2KMT2AALDH1A1MEN1RAB9A
SCHEMBL20475214 0.79 RAB9A (0.51) PTGS2KMT2AALDH1A1MEN1NLRP3
SCHEMBL16176784 0.78 KMT2A (0.50) KMT2AALDH1A1MEN1NLRP3RAB9A
SCHEMBL23043120 0.77 KMT2A (0.49) KMT2AALDH1A1NLRP3RAB9ACES2
SCHEMBL4726032 0.77 HDAC1 (0.56) KMT2AALDH1A1MEN1NLRP3RAB9A
SCHEMBL15577855 0.76 KMT2A (0.39) PTGS2KMT2AALDH1A1NLRP3RAB9A
SCHEMBL20560144 0.76 PTGS2 (0.37) PTGS2KMT2AALDH1A1MEN1RAB9A

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-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 WO disclosed