SCHEMBL3984810

SCHEMBL3984810

NC1=NC(N)(Cc2ccccn2)C=CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HRH1 P35367 2/20 0.38
MGMT P16455 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PRMT1 Q99873 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MAPT P10636 1/20 0.33
LIN28A Q9H9Z2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 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
SCHEMBL28503979 0.69 HRH1 (0.39) L3MBTL1MAOAMAOBHRH1LMNA
SCHEMBL884890 0.66 KDM1A (0.39) L3MBTL1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL7915833 0.65 MAOA (0.50) L3MBTL1MAOAMAOBHRH1LMNA
SCHEMBL29452029 0.65 MAOA (0.50) L3MBTL1MAOAMAOBHRH1LMNA
SCHEMBL31617176 0.65 HRH1 (0.38) L3MBTL1MAOAMAOBHRH1MGMT
SCHEMBL20069016 0.63 SLC6A4 (0.44) L3MBTL1MAOAMAOBHRH1LMNA
SCHEMBL9601979 0.62 HRH1 (0.38) L3MBTL1MAOAMAOBHRH1MGMT
SCHEMBL28270390 0.62 HRH1 (0.44) L3MBTL1MAOAMAOBHRH1LMNA
SCHEMBL5822763 0.61
SCHEMBL23500896 0.60 HRH1 (0.39) L3MBTL1MAOAMAOBHRH1MGMT

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