SCHEMBL1980607

SCHEMBL1980607

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
MAPK10 P53779 1/20 0.44
GSK3B P49841 1/20 0.43
PIM1 P11309 6/20 0.42
PIM3 Q86V86 3/20 0.42
PIM2 Q9P1W9 3/20 0.42
ALPL P05186 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
NR3C1 P04150 1/20 0.39
MET P08581 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
NPY5R Q15761 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
BACE1 P56817 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
SCHEMBL12597839 0.92 FYN (0.44) IDO1TDO2MAPK10PIM1PIM3
SCHEMBL1560461 0.90 IDO1 (0.46) IDO1TDO2MAPK10GSK3BPIM1
SCHEMBL1982206 0.88 NEK1 (0.42) PIM1PIM3PIM2TLR8TLR7
SCHEMBL1980257 0.87 PIM1 (0.52) PIM1PIM3PIM2TLR8TLR7
SCHEMBL1979614 0.86 SLC22A12 (0.45) MAPK10PIM1PIM3PIM2ALPL
SCHEMBL12597452 0.84 PIM1 (0.49) PIM1PIM3PIM2TLR8TLR7
SCHEMBL1979534 0.84 PIM1 (0.43) PIM1PIM3PIM2TLR8TLR7
SCHEMBL12597359 0.84 SLC2A1 (0.45) PIM1PIM3PIM2ALPLCYP11B1
SCHEMBL1980742 0.83 CLK2 (0.48) PIM1PIM3PIM2TLR8TLR7
SCHEMBL1980283 0.83 AURKA (0.48) PIM1PIM3PIM2BRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO claimed
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed