SCHEMBL118074

SCHEMBL118074

CSc1cc(-c2cc(CCN3CCOCC3)cnc2F)nc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.36
SIGMAR1 Q99720 1/20 0.35
CSF1R P07333 2/20 0.35
AVPR1B P47901 4/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
LRRK2 Q5S007 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
SYK P43405 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 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
SCHEMBL118073 0.76 PIK3CA (0.49) PIK3CAMTOR
SCHEMBL114801 0.73 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL115669 0.71 SIGMAR1 (0.43) SIGMAR1AVPR1BLRRK2NPC1
SCHEMBL166145 0.69 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL113876 0.64 SIGMAR1 (0.53) SIGMAR1
SCHEMBL28193623 0.63 SIGMAR1 (0.48) SIGMAR1LRRK2NPC1SMN1; SMN2ABL1
SCHEMBL13119693 0.62 KMT2A (0.54) SMN1; SMN2
SCHEMBL29339594 0.61 SIGMAR1 (0.45) PIK3CASIGMAR1ABL1BCRCDK1
SCHEMBL15906057 0.61 SIGMAR1 (0.49) SIGMAR1SYKRAB9A
SCHEMBL12752879 0.61 SIGMAR1 (0.49) SIGMAR1AVPR1BLRRK2SYKCDK1

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-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed