SCHEMBL1979541

SCHEMBL1979541

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1cnn(C)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.49
PIM1 P11309 14/20 0.46
MAPT P10636 1/20 0.46
TLR8 Q9NR97 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
PIM3 Q86V86 3/20 0.44
PIM2 Q9P1W9 3/20 0.44
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40

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
SCHEMBL1980257 0.89 PIM1 (0.52) PIM1TLR8TLR7PIM3PIM2
SCHEMBL12597452 0.86 PIM1 (0.49) PIM1TLR8TLR7PIM3PIM2
SCHEMBL1981546 0.85 PIM1 (0.44) PIM1TLR8TLR7PIM3PIM2
SCHEMBL1981037 0.84 PIM1 (0.57) PIM1TLR8TLR7PIM3PIM2
SCHEMBL1981919 0.84 PIM1 (0.47) PIM1TLR8TLR7PIM3PIM2
SCHEMBL12597448 0.83 PIM1 (0.46) PIM1MAPTTLR8TLR7PIM3
SCHEMBL1979797 0.82 PIM1 (0.47) PIM1TLR8TLR7PIM3PIM2
SCHEMBL1978448 0.82 PIM1 (0.45) PIM1TLR8TLR7PIM3PIM2
SCHEMBL1980501 0.82 PIM1 (0.45) PIM1TLR8TLR7PIM3PIM2
SCHEMBL1978983 0.82 PIM1 (0.41) PIM1TLR8TLR7PIM3PIM2

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
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