SCHEMBL2017545

SCHEMBL2017545

NCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2cnccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
MPI P34949 1/20 0.42
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CYP3A4 P08684 5/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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
SCHEMBL2014194 0.90 L3MBTL1 (0.48) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2017795 0.88 MEN1 (0.52) MAPTKMT2AHTTMEN1CYP3A4
SCHEMBL2015058 0.87 GBA1 (0.45) GBA1RAB9AMAPTKMT2ANPSR1
SCHEMBL2015402 0.87 AKR1C3 (0.43) GBA1RAB9AMAPTKMT2ANPSR1
SCHEMBL2012009 0.85 MAPT (0.46) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2012835 0.84 ALDH1A1 (0.52) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2012195 0.83 ALDH1A1 (0.44) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2016546 0.83 KDM4E (0.53) GBA1RAB9AMAPTKMT2ANPSR1
SCHEMBL2011832 0.83 L3MBTL1 (0.50) RAB9AMAPTKMT2ANPSR1NPC1
SCHEMBL2163506 0.82 GBA1 (0.45) GBA1RAB9AMAPTKMT2ANPSR1

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