SCHEMBL4563006

SCHEMBL4563006

CC(C)(C)N(C(=O)O)c1ccnn1-c1ccc2ncccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
ABL1 P00519 4/20 0.41
AXL P30530 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SRC P12931 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PLK1 P53350 1/20 0.39
POLB P06746 2/20 0.39
PSMD14 O00487 1/20 0.39
TP53 P04637 1/20 0.39
MMP2 P08253 1/20 0.39
PDE4B Q07343 1/20 0.39
NR3C1 P04150 1/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 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
SCHEMBL5307793 0.75 PTGS2 (0.38) ALDH1A1MAPTKDM4EHTTNPC1
SCHEMBL4563007 0.71 ABL1 (0.48) PDE10AABL1AXLALDH1A1MAPT
SCHEMBL2028916 0.70 ALDH1A1 (0.62) ABL1AXLALDH1A1MAPTGAA
SCHEMBL2028017 0.70 GRN (0.62) ABL1AXLALDH1A1MAPTGAA
SCHEMBL6314218 0.69 ALDH1A1 (0.48) ALDH1A1MAPTGAAKDM4ESRC
SCHEMBL6598981 0.69 ALDH1A1 (0.45) PDE10AABL1AXLALDH1A1MAPT
SCHEMBL6313072 0.67 PTGER4 (0.47) ABL1AXLALDH1A1MAPTGAA
SCHEMBL6313370 0.67 NR4A3 (0.61) ABL1AXLALDH1A1MAPTGAA
SCHEMBL17836026 0.66 MEN1 (0.38) ALDH1A1MAPTGAAKDM4EALOX15
SCHEMBL6311969 0.66 NFE2L2 (0.62)

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