SCHEMBL1980243

SCHEMBL1980243

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ACHE P22303 1/20 0.59
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
PIM1 P11309 6/20 0.53
PIM3 Q86V86 2/20 0.53
PIM2 Q9P1W9 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
GFER P55789 1/20 0.53
CLK4 Q9HAZ1 2/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
CLK1 P49759 1/20 0.52

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
SCHEMBL1561133 0.85 CHEK1 (0.53) NPC1RAB9AACHEALDH1A1HSD17B10
SCHEMBL1559845 0.85 GABRP (0.58) NPC1RAB9APIM1PIM3PIM2
SCHEMBL1980167 0.85 CHUK (0.57) CHUKNPC1RAB9AACHEALDH1A1
SCHEMBL1979863 0.84 PIM1 (0.50) NPC1RAB9APIM1PIM3PIM2
SCHEMBL1979603 0.84 NPY5R (0.51) PIM1PIM3PIM2CLK2DYRK1A
SCHEMBL1983599 0.81 PIM1 (0.62) CHUKALDH1A1KDM4EHPGDPIM1
SCHEMBL12594228 0.81 CYP19A1 (0.54) ALDH1A1HSD17B10KDM4EHPGDPIM1
SCHEMBL1980773 0.81 KDM4E (0.54) CHUKNPC1RAB9AACHEALDH1A1
SCHEMBL1981058 0.81 CHUK (0.58) CHUKPIM1PIM3PIM2CLK2
SCHEMBL1980603 0.81 CHUK (0.58) CHUKACHEPIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO claimed
WO-2011070298-A1 DI-SUBSTITUTED 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
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-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed