SCHEMBL1979456

SCHEMBL1979456

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 4/20 0.47
TLR7 Q9NYK1 3/20 0.45
TLR9 Q9NR96 2/20 0.45
TLR8 Q9NR97 2/20 0.45
NR4A1 P22736 2/20 0.44
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43
FYN P06241 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TET3 O43151 1/20 0.42
TET2 Q6N021 1/20 0.42
TET1 Q8NFU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CHUK O15111 1/20 0.41
INSR P06213 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
SCHEMBL1978130 0.98 TLR7 (0.48) PTAFRTLR7TLR9TLR8NR4A1
SCHEMBL1981277 0.95 WNT1 (0.49) PTAFRTLR7TLR9TLR8NR4A1
SCHEMBL1981315 0.91 PTAFR (0.47) PTAFRTLR7TLR9WNT1DYRK1A
SCHEMBL1983761 0.89 BRAF (0.47) PTAFRTLR7TLR9WNT1DYRK1A
SCHEMBL1981803 0.88 MTNR1A (0.45) PTAFRTLR7TLR9TLR8ALDH1A1
SCHEMBL12597223 0.88 TLR7 (0.42) PTAFRTLR7TLR9TLR8WNT1
SCHEMBL1981005 0.88 FYN (0.47) TLR7TLR9TLR8NR4A1WNT1
SCHEMBL12597227 0.87 PTAFR (0.42) PTAFRTLR7TLR9TLR8NR4A1
SCHEMBL12598112 0.87 TLR7 (0.45) PTAFRTLR7TLR9TLR8DYRK1A
SCHEMBL1982709 0.87 TLR8 (0.48) TLR7TLR9TLR8NR4A1WNT1

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 1 patent. 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