SCHEMBL1979171

SCHEMBL1979171

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(C(=O)NCCC2CCN(C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.42
DYRK1A Q13627 2/20 0.42
CHRM4 P08173 2/20 0.41
TLR7 Q9NYK1 4/20 0.40
GSK3B P49841 2/20 0.40
TLR9 Q9NR96 3/20 0.40
TLR8 Q9NR97 3/20 0.40
PTAFR P25105 2/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
NEK1 Q96PY6 1/20 0.37

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
SCHEMBL1980365 0.90 TLR7 (0.52) WNT1DYRK1ATLR7TLR9TLR8
SCHEMBL1979088 0.86 WNT1 (0.51) WNT1DYRK1ATLR7TLR9TLR8
SCHEMBL1983761 0.86 BRAF (0.47) WNT1DYRK1ATLR7TLR9PTAFR
SCHEMBL12598121 0.86 KDM4E (0.44) WNT1DYRK1ATLR7TLR9TLR8
SCHEMBL12598125 0.85 DRD2 (0.48) WNT1DYRK1ATLR7TLR9TLR8
SCHEMBL1981803 0.85 MTNR1A (0.45) TLR7TLR9TLR8PTAFR
SCHEMBL473784 0.85 DYRK1A (0.44) WNT1DYRK1ACHRM4GSK3B
SCHEMBL1978545 0.85 IGF1R (0.41) WNT1DYRK1ATLR7
SCHEMBL1981315 0.85 PTAFR (0.47) WNT1DYRK1ATLR7TLR9PTAFR
SCHEMBL12597832 0.84 DYRK1A (0.45) WNT1DYRK1ATLR7TLR9TLR8

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