SCHEMBL2015620

SCHEMBL2015620

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MPI P34949 1/20 0.38
BTK Q06187 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 7/20 0.35
LMNA P02545 3/20 0.35
CCR1 P32246 1/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL2012342 0.92 MAPT (0.42) SMOMEN1KMT2AMAPTHTT
SCHEMBL2012273 0.88 HTT (0.39) MEN1KMT2AMAPTHTTNPC1
SCHEMBL2013837 0.87 BTK (0.37) MEN1KMT2AMAPTHTTNPC1
SCHEMBL2015850 0.86 L3MBTL1 (0.37) MEN1KMT2AMAPTHTTNPC1
SCHEMBL2017831 0.86 METAP2 (0.38) MEN1KMT2AMAPTHTTNPC1
SCHEMBL2013366 0.85 CCR4 (0.37) MEN1KMT2AMAPTHTTNPC1
SCHEMBL2014635 0.85 LMNA (0.40) KMT2AMAPTHTTRAB9ANPSR1
SCHEMBL2015619 0.84 PIK3CD (0.42) SMOMEN1KMT2AMAPTHTT
SCHEMBL2017028 0.84 LMNA (0.43) KMT2AMAPTHTTNPC1RAB9A
SCHEMBL2016487 0.84 GBA1 (0.35) MEN1KMT2AMAPTHTTNPC1

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