SCHEMBL10143801

SCHEMBL10143801

COc1ccc(Nc2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.68
PIK3CA P42336 9/20 0.59
MTOR P42345 9/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SLC2A1 P11166 1/20 0.55
SLC2A2 P11168 1/20 0.55
SLC2A3 P11169 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 5/20 0.54
HPGD P15428 5/20 0.54
HTT P42858 4/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL10143800 0.90 MAPT (0.67) MERTKPIK3CAMTORSMN1; SMN2NPC1
SCHEMBL10143799 0.83 PIK3CA (0.76) PIK3CAMTORSLC2A1SLC2A2SLC2A3
SCHEMBL1355170 0.78 EIF2AK4 (0.61) MERTKSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4992754 0.74 PIK3CA (0.65) PIK3CAMTORSMN1; SMN2NPC1RAB9A
SCHEMBL29345032 0.74 MEN1 (0.85) MERTKSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4996109 0.74 MTOR (0.82) PIK3CAMTOR
SCHEMBL1355852 0.73 FGFR4 (0.63) SMN1; SMN2NPC1RAB9ASLC2A1
SCHEMBL10143802 0.73 PIK3CA (0.60) PIK3CAMTORSMN1; SMN2NPC1RAB9A
SCHEMBL23187519 0.73 MERTK (0.65) MERTKSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL427181 0.73 MAPT (0.57) MERTKSMN1; SMN2NPC1RAB9AKMT2A

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-3800188-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS Bayer AG (DE) 2021-04-07 EP disclosed
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO disclosed