SCHEMBL3984812

SCHEMBL3984812

NC1=NC=CC(N)(Cc2ccccn2)N1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HRH1 P35367 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MGMT P16455 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRMT1 Q99873 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CASP6 P55212 1/20 0.33

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
SCHEMBL31617176 0.73 HRH1 (0.38) MAOAMAOBHRH1L3MBTL1MGMT
SCHEMBL3984810 0.68 L3MBTL1 (0.40) MAOAMAOBHRH1L3MBTL1MGMT
SCHEMBL29452029 0.65 MAOA (0.50) MAOAMAOBHRH1L3MBTL1LMNA
SCHEMBL7915833 0.65 MAOA (0.50) MAOAMAOBHRH1L3MBTL1LMNA
SCHEMBL20069016 0.63 SLC6A4 (0.44) MAOAMAOBHRH1L3MBTL1LMNA
SCHEMBL28270390 0.62 HRH1 (0.44) MAOAMAOBHRH1L3MBTL1LMNA
SCHEMBL21940865 0.61 HRH4 (0.41) HRH1ATAD2LMNA
SCHEMBL23500896 0.60 HRH1 (0.39) MAOAMAOBHRH1L3MBTL1MGMT
SCHEMBL29375684 0.59
SCHEMBL10672099 0.59 HRH1 (0.67) MAOAMAOBHRH1L3MBTL1LMNA

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-2009063240-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF AURORA KINASE ARROW THERAPEUTICS LIMITED (GB) 2009-05-22 WO disclosed