SCHEMBL4563007

SCHEMBL4563007

CC(C)(C)OC(=O)Nc1ccnn1-c1ccc2ncccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.48
AXL P30530 2/20 0.48
SRC P12931 3/20 0.46
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 4/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PLK1 P53350 1/20 0.40
EPHB4 P54760 2/20 0.40
PTK2 Q05397 2/20 0.40
PTK2B Q14289 2/20 0.40
PLK4 O00444 1/20 0.40
ACOX3 O15254 1/20 0.40
MAP3K7 O43318 1/20 0.40
DYRK3 O43781 1/20 0.40

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
SCHEMBL257596 0.78 NPC1 (0.65) ALDH1A1ALOX15HTTNPC1POLB
SCHEMBL5307795 0.77 JAK2 (0.47) ALDH1A1NPC1MAPTMEN1KMT2A
SCHEMBL4437551 0.73 EIF2AK4 (0.42) ABL1AXLSRCALDH1A1ALOX15
SCHEMBL29396477 0.72 ABL1 (0.67) ABL1AXLSRCEPHB4PTK2
SCHEMBL28700821 0.72 ABL1 (0.67) ABL1AXLSRCEPHB4PTK2
SCHEMBL6817067 0.72 NAMPT (0.61) ALDH1A1ALOX15HTTNPC1POLB
SCHEMBL2027842 0.72 ABL1 (0.64) ABL1AXLSRCEPHB4PTK2
SCHEMBL27402310 0.71 ALOX15 (0.50) ALDH1A1ALOX15HTTNPC1POLB
SCHEMBL30905555 0.71 ALOX15 (0.50) ALDH1A1ALOX15HTTNPC1POLB
SCHEMBL4563006 0.71 PDE10A (0.42) ABL1AXLSRCALDH1A1ALOX15

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