SCHEMBL18171886

SCHEMBL18171886

CC1(C)OB(c2ccc3nc(NCc4ccccc4)cnc3c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.54
PDGFRA P16234 3/20 0.54
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
DGAT1 O75907 1/20 0.41
NOS2 P35228 1/20 0.40
LMNA P02545 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LIPG Q9Y5X9 4/20 0.39
LPL P06858 3/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL1530858 0.87 PDGFRB (0.47) PDGFRBPDGFRAMEN1KMT2ACLK4
SCHEMBL18171891 0.81 EGFR (0.40) PDGFRBPDGFRADGAT1LIPGLPL
SCHEMBL15550766 0.80 DGAT1 (0.53) PDGFRBPDGFRAKDM4EALDH1A1SMN1; SMN2
SCHEMBL31240616 0.80 DGAT1 (0.53) PDGFRBPDGFRAKDM4EALDH1A1SMN1; SMN2
SCHEMBL18171882 0.79 NUDT1 (0.40) LIPGLPLMAP4K4
SCHEMBL12070285 0.78 NOS2 (0.56) KDM4EALDH1A1HPGDDGAT1NOS2
SCHEMBL30472985 0.76 EGFR (0.40) PDGFRBPDGFRADGAT1LIPGLPL
SCHEMBL18171877 0.76 DGAT1 (0.43) SMN1; SMN2DGAT1LMNALIPGLPL
SCHEMBL31503579 0.76 TLR9 (0.52) PDGFRBALDH1A1SMN1; SMN2DGAT1LIPG
SCHEMBL28490184 0.75 RAB9A (0.55) SMN1; SMN2LMNALIPGLPLPOLB

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-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed