SCHEMBL14069155

SCHEMBL14069155

Cc1nc(-c2ccc(-c3cnc4[nH]cc(C#N)c4c3)c(C)c2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
AAK1 Q2M2I8 3/20 0.40
KIT P10721 3/20 0.39
HSP90AB1 P08238 4/20 0.39
S1PR1 P21453 2/20 0.39
MAP3K12 Q12852 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1D P28221 3/20 0.38
HTR1B P28222 2/20 0.38
HTR2A P28223 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4746434 0.77 KIT (0.56) PRMT5WDR77AAK1KIT
SCHEMBL12112421 0.71 L3MBTL1 (0.56) S1PR1L3MBTL1MAPT
SCHEMBL4743672 0.70 BRD4 (0.67) PRMT5WDR77
SCHEMBL38665653 0.68 L3MBTL1 (0.65) S1PR1L3MBTL1HTR1DKDM4EMEN1
SCHEMBL4200987 0.68 MAPK8 (0.60) PRMT5WDR77AAK1KITMAP3K12
SCHEMBL21069142 0.68 PRMT5 (0.54) PRMT5WDR77AAK1KITL3MBTL1
SCHEMBL12267104 0.67 L3MBTL1 (0.67) S1PR1L3MBTL1MAPT
SCHEMBL4209183 0.67 CYP11B1 (0.49) PRMT5WDR77AAK1
SCHEMBL8457708 0.67 L3MBTL1 (0.54) S1PR1L3MBTL1HTR1DHTR1BHTR2A
SCHEMBL25383956 0.67 L3MBTL1 (0.42) S1PR1L3MBTL1KDM4EALDH1A1MAPT

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