SCHEMBL3669837

SCHEMBL3669837

COc1cnc2nc(-c3cnc4c(c3)CC[C]C4)c(=O)[nH]c2c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
FPR2 P25090 1/20 0.31
IKBKE Q14164 6/20 0.31
TBK1 Q9UHD2 6/20 0.31
AURKB Q96GD4 2/20 0.31
CDK2 P24941 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL3663718 0.76 MTNR1A (0.34) IKBKETBK1AURKBCDK2
SCHEMBL3019050 0.69 KCNH2 (0.46)
SCHEMBL3667973 0.67 HDAC1 (0.32) HTTSMN1; SMN2
SCHEMBL14361905 0.61 KDM4E (0.44) AURKANOS3NOS1NOS2FPR2
SCHEMBL4981499 0.60 AURKA (0.40) AURKANOS3NOS1NOS2IKBKE
SCHEMBL10211617 0.57 KDM4E (0.51) AURKALMNAHTTSMN1; SMN2NPSR1
SCHEMBL4065673 0.56 ADRA2A (0.44) NOS3NOS1NOS2CDK2HTT
SCHEMBL10211161 0.55 KDM4E (0.51) NOS1AURKBCDK2HTTNPSR1
SCHEMBL4761258 0.54 EGFR (0.38) HTT
SCHEMBL29386273 0.54 RAB9A (0.66) LMNAHTTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed