SCHEMBL10143802

SCHEMBL10143802

COc1ccc(-c2nc(N3CCCCC3)c3cnn(-c4ccccc4)c3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.60
MTOR P42345 8/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
RAB9A P51151 3/20 0.60
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.60
TP53 P04637 2/20 0.60
HTT P42858 2/20 0.60
MITF O75030 1/20 0.60
PKM P14618 1/20 0.60
KLF5 Q13887 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SLC2A1 P11166 4/20 0.57
SLC2A2 P11168 4/20 0.57
SLC2A3 P11169 4/20 0.57
NPC1 O15118 2/20 0.54
SIRT1 Q96EB6 1/20 0.53
MAPK1 P28482 2/20 0.52

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
SCHEMBL10143799 0.90 PIK3CA (0.76) PIK3CAMTORALDH1A1HPGDLMNA
SCHEMBL10143800 0.82 MAPT (0.67) PIK3CAMTORALDH1A1MAPTRAB9A
SCHEMBL3986325 0.75 MTOR (1.00) PIK3CAMTORALDH1A1HPGDLMNA
SCHEMBL4996109 0.74 MTOR (0.82) PIK3CAMTOR
SCHEMBL10143801 0.73 MERTK (0.68) PIK3CAMTORALDH1A1MAPTRAB9A
SCHEMBL4988955 0.71 PIK3CA (1.00) PIK3CAMTORALDH1A1HPGD
SCHEMBL3918530 0.71 PIK3CA (1.00) PIK3CAMTORALDH1A1HPGDTP53
SCHEMBL4996533 0.71 PIK3CA (0.86) PIK3CAMTOR
SCHEMBL21568696 0.70 MAPT (1.00) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL29618261 0.70 MAPT (1.00) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO disclosed