SCHEMBL4437551

SCHEMBL4437551

CCCCNc1ccnn1-c1ccc2ncccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.42
PDE10A Q9Y233 1/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 1/20 0.39
ABL1 P00519 3/20 0.38
AXL P30530 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
PLK1 P53350 1/20 0.38
POLB P06746 3/20 0.38
PDE4B Q07343 1/20 0.38
PSMD14 O00487 1/20 0.38
TP53 P04637 1/20 0.38
MMP2 P08253 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
SCHEMBL28053394 0.77 TP53 (0.44) NPC1ALDH1A1MAPTKDM4EGAA
SCHEMBL27676108 0.76 SOAT2 (0.52) NPC1ALDH1A1KDM4EPOLBTP53
SCHEMBL27742973 0.76 KDM4E (0.39) NPC1ALDH1A1KDM4ETLR8TLR7
SCHEMBL5266895 0.75 CYP2C9 (0.44) NPC1ALDH1A1KDM4EHTTTP53
SCHEMBL28784326 0.75 SOAT2 (0.41) NPC1ALDH1A1KDM4ETLR8TLR7
SCHEMBL27678180 0.74 OXTR (0.44) NPC1ALDH1A1KDM4EHTTTP53
SCHEMBL4563007 0.73 ABL1 (0.48) PDE10ANPC1ALDH1A1MAPTKDM4E
SCHEMBL9453146 0.72 SOAT1 (0.58) NPC1ALDH1A1KDM4EPOLBTP53
SCHEMBL11086699 0.71 SOAT1 (0.60) NPC1ALDH1A1KDM4ETP53RAB9A
SCHEMBL27463663 0.71 CYP1A2 (0.34) NPC1ALDH1A1KDM4ETLR8TP53

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-2073811-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-07-01 EP disclosed
WO-2008046003-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 WO disclosed