SCHEMBL7945987

SCHEMBL7945987

CCCCNc1cc(N)c2nc(-c3nccs3)c(=O)n(C3CC3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 4/20 0.36
MERTK Q12866 4/20 0.36
FLT3 P36888 1/20 0.36
GAS6 Q14393 1/20 0.36
HPGD P15428 6/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 4/20 0.35
CASP1 P29466 4/20 0.35
CASP7 P55210 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP2D6 P10635 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
AXL P30530 1/20 0.35
HSF1 Q00613 1/20 0.35
HIF1A Q16665 2/20 0.34
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
CLK4 Q9HAZ1 1/20 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
SCHEMBL7947006 0.86 ALDH1A1 (0.34) HPGDALDH1A1CYP1A2CASP1CASP7
SCHEMBL7944716 0.85 CYP1A2 (0.39) HPGDALDH1A1CYP1A2CASP1CASP7
SCHEMBL7944000 0.84 ALDH1A1 (0.33) HPGDALDH1A1CYP1A2CASP1CASP7
SCHEMBL7944790 0.84 ADORA2A (0.37) ALDH1A1CYP1A2HSD17B10CYP2D6LMNA
SCHEMBL7938052 0.81 CCND1 (0.38) HPGDALDH1A1CYP1A2CASP1CASP7
SCHEMBL7938054 0.81 AKT1 (0.41) HPGDALDH1A1CYP1A2CASP1CASP7
SCHEMBL7938346 0.81 ALDH1A1 (0.38) HPGDALDH1A1CYP1A2CASP1CASP7
SCHEMBL7937747 0.79 HSF1 (0.35) HPGDALDH1A1CYP1A2CASP1CASP7
SCHEMBL7943995 0.76 HSF1 (0.36) HPGDALDH1A1CYP1A2CASP1CASP7
SCHEMBL3227759 0.75 ALDH1A1 (0.39) HPGDALDH1A1CYP1A2CASP1CASP7

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-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed