SCHEMBL3431377

SCHEMBL3431377

CC(C)(O)c1cc(-c2ccc3nc(C4=CC=C5C=CN=C5C4)cn3c2)cs1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A3 P47895 6/20 0.31
SLC2A1 P11166 1/20 0.31
ALDH1A2 O94788 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3431348 0.81 NR4A2 (0.41) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL218896 0.73 NR4A2 (0.65) NR4A2KCNH2ALDH1A3SLC2A1ALDH1A2
SCHEMBL218321 0.71 NR4A2 (0.43) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL218890 0.58 ALDH1A3 (0.56) NR4A2KCNH2ALDH1A3SLC2A1ALDH1A2
SCHEMBL3432800 0.57 NR4A2 (0.67) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL3432413 0.57 NR4A2 (0.71) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL216944 0.56 NR4A2 (0.64) NR4A2KCNH2ALDH1A3SLC2A1ALDH1A2
SCHEMBL220443 0.56 NR4A2 (0.41) NR4A2KCNH2ALDH1A3SLC2A1ALDH1A2
SCHEMBL219585 0.56 ALDH1A3 (0.61) NR4A2KCNH2ALDH1A3SLC2A1ALDH1A2
SCHEMBL3433614 0.56 NR4A2 (0.65) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3

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-2262804-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- A] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2010-12-22 EP disclosed
WO-2009144392-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- Α] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-12-03 WO disclosed