SCHEMBL2015402

SCHEMBL2015402

NCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
MAPT P10636 6/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
MPI P34949 1/20 0.43
MTOR P42345 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 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
L3MBTL1 Q9Y468 1/20 0.41
SLC40A1 Q9NP59 2/20 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
SCHEMBL2012009 0.94 MAPT (0.46) MAPTRAB9AKMT2ANPSR1HTT
SCHEMBL2017795 0.92 MEN1 (0.52) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL2011832 0.92 L3MBTL1 (0.50) MAPTRAB9AKMT2ANPSR1HTT
SCHEMBL2012500 0.88 MAPT (0.52) MAPTRAB9AKMT2ANPSR1HTT
SCHEMBL2014194 0.87 L3MBTL1 (0.48) MAPTRAB9AKMT2ANPSR1HTT
SCHEMBL2017545 0.87 GBA1 (0.43) MAPTRAB9AKMT2ANPSR1HTT
SCHEMBL2013930 0.86 AKR1C3 (0.43) AKR1C3MAPTRAB9AKMT2ANPSR1
SCHEMBL2016546 0.86 KDM4E (0.53) MAPTRAB9AKMT2ANPSR1HTT
SCHEMBL2012195 0.84 ALDH1A1 (0.44) MAPTRAB9AKMT2ANPSR1HTT
SCHEMBL2017182 0.84 HTT (0.47) MAPTRAB9AKMT2ANPSR1HTT

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