SCHEMBL4747765

SCHEMBL4747765

N#Cc1c[nH]c2ncc(-c3ccc(OCc4ccccc4)cc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.62
MAOB P27338 2/20 0.52
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
AAK1 Q2M2I8 3/20 0.48
SGK1 O00141 1/20 0.46
AXL P30530 1/20 0.46
CDK8 P49336 1/20 0.46
TNIK Q9UKE5 1/20 0.46
GSK3B P49841 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KIT P10721 2/20 0.44
NSD2 O96028 1/20 0.43
AS3MT Q9HBK9 1/20 0.43
IP6K1 Q92551 1/20 0.43

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
SCHEMBL4747758 0.79 PRMT5 (0.55) PRMT5WDR77AAK1SGK1AXL
SCHEMBL15554379 0.78 KIT (0.53) SGK1AXLCDK8TNIKKIT
SCHEMBL27708665 0.77 IMPDH2 (1.00) IMPDH2MAOBMAPTNSD2AS3MT
SCHEMBL5857843 0.77 IMPDH2 (0.81) IMPDH2MAOBMEN1MAPTKMT2A
SCHEMBL4743685 0.77 PRMT5 (0.50) PRMT5WDR77AAK1SGK1AXL
SCHEMBL21069142 0.76 PRMT5 (0.54) PRMT5WDR77AAK1AXLCDK8
SCHEMBL4200987 0.74 MAPK8 (0.60) PRMT5WDR77AAK1AXLCDK8
SCHEMBL4744137 0.74 PRMT5 (0.54) PRMT5WDR77AAK1SGK1AXL
SCHEMBL4199507 0.74 CAMKK2 (0.61) PRMT5WDR77AAK1AXLCDK8
SCHEMBL858648 0.73 CDK8 (0.67) AXLCDK8GSK3BNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO claimed
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed