SCHEMBL2016487

SCHEMBL2016487

O=C(c1cnccn1)N1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
MPI P34949 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP3A4 P08684 5/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 1/20 0.34
NAMPT P43490 1/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL2015850 0.92 L3MBTL1 (0.37) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2013837 0.87 BTK (0.37) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2014635 0.86 LMNA (0.40) RAB9AMAPTKMT2ANPSR1HTT
SCHEMBL2012342 0.86 MAPT (0.42) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2017028 0.86 LMNA (0.43) GBA1RAB9AMAPTKMT2ANPSR1
SCHEMBL2013366 0.85 CCR4 (0.37) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2012273 0.85 HTT (0.39) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2017422 0.85 MAPT (0.43) RAB9AMAPTKMT2ANPSR1HTT
SCHEMBL2015620 0.84 SMO (0.40) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2016485 0.83 PIK3CD (0.41) GBA1RAB9AMAPTNPC1HTT

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed