SCHEMBL3431348

SCHEMBL3431348

CC(C)(O)c1ccnc(-c2ccc3nc(C4=CC=C5C=CN=C5C4)cn3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A3 P47895 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 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
SCHEMBL218442 0.72 NR4A2 (0.47) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL218150 0.71 NR4A2 (0.46) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL216882 0.67 NR4A2 (0.45) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL3429756 0.63 NR4A2 (0.69) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL20449105 0.59 RAB9A (0.41) KCNH2CYP11B1CYP11B2NPC1RAB9A
SCHEMBL3433614 0.59 NR4A2 (0.65) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL3432610 0.58 NR4A2 (0.67) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL1472110 0.58 NR4A2 (1.00) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL3431737 0.58 NR4A2 (0.75) NR4A2KCNH2CYP11B1CYP11B2ALDH1A3
SCHEMBL3430915 0.57 NR4A2 (0.68) 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