SCHEMBL1979090

SCHEMBL1979090

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(C(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.47
BCR P11274 3/20 0.47
RIPK1 Q13546 1/20 0.45
ALK Q9UM73 1/20 0.45
TLR8 Q9NR97 5/20 0.44
TLR7 Q9NYK1 5/20 0.44
TLR9 Q9NR96 3/20 0.44
TACR3 P29371 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KCNH2 Q12809 1/20 0.41
ACACB O00763 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL1980375 0.91 JAK2 (0.45) ABL1BCRRIPK1TLR8TLR7
SCHEMBL12597441 0.91 TLR8 (0.49) ABL1BCRTLR8TLR7TLR9
SCHEMBL1979824 0.89 ACACB (0.43) ABL1BCRTLR8TLR7TACR3
SCHEMBL12597443 0.88 TLR9 (0.44) ABL1BCRTLR8TLR7TLR9
SCHEMBL12597824 0.86 TLR8 (0.41) ABL1BCRTLR8TLR7TLR9
SCHEMBL12598113 0.86 TLR9 (0.49) ABL1BCRTLR8TLR7TLR9
SCHEMBL1979506 0.86 TLR9 (0.49) ABL1BCRTLR8TLR7TLR9
SCHEMBL1980514 0.85 PIM1 (0.44) TLR8TLR7TLR9MKNK1MKNK2
SCHEMBL12597826 0.85 TLR9 (0.43) ABL1BCRTLR8TLR7TLR9
SCHEMBL12597359 0.85 SLC2A1 (0.45) ABL1BCRTLR8TLR7MKNK1

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