SCHEMBL166062

SCHEMBL166062

COc1ccc(COCc2cnc(-c3nn(C4CCCCO4)c4cccc(N)c34)c(-c3nc(C)nc4c3ncn4C3CCCCO3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.33
DRD1 P21728 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL113879 0.82 YTHDC1 (0.37) PIK3CADRD1YTHDC1NPC1RAB9A
SCHEMBL3099983 0.82 PIK3CA (0.46) PIK3CAYTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL14296957 0.71 YTHDC1 (0.47) YTHDC1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL168592 0.66 PIK3CA (0.46) PIK3CAYTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL113886 0.66 YTHDC1 (0.39) PIK3CAYTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL116967 0.66 PIK3CA (0.53) PIK3CA
SCHEMBL114425 0.65 YTHDC1 (0.40) YTHDC1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL117532 0.65 PIK3CA (0.51) PIK3CAYTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL115200 0.64 YTHDC1 (0.48) PIK3CAYTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL165036 0.64 YTHDC1 (0.43) PIK3CAYTHDC1NPC1RAB9ASMN1; 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 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