SCHEMBL2012273

SCHEMBL2012273

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.39
MAPT P10636 7/20 0.39
RAB9A P51151 5/20 0.39
NPSR1 Q6W5P4 5/20 0.39
KMT2A Q03164 3/20 0.39
MPI P34949 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 7/20 0.35
LMNA P02545 6/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
TDP1 Q9NUW8 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
METAP2 P50579 3/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
NOD2 Q9HC29 1/20 0.35
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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 0.90 MAPT (0.42) HTTMAPTRAB9ANPSR1KMT2A
SCHEMBL2015620 0.88 SMO (0.40) HTTMAPTRAB9ANPSR1KMT2A
SCHEMBL2013837 0.88 BTK (0.37) HTTMAPTRAB9ANPSR1KMT2A
SCHEMBL2015850 0.87 L3MBTL1 (0.37) HTTMAPTRAB9ANPSR1KMT2A
SCHEMBL2013366 0.87 CCR4 (0.37) HTTMAPTRAB9ANPSR1KMT2A
SCHEMBL2014635 0.86 LMNA (0.40) HTTMAPTRAB9ANPSR1KMT2A
SCHEMBL2016487 0.85 GBA1 (0.35) HTTMAPTRAB9ANPSR1KMT2A
SCHEMBL2017028 0.85 LMNA (0.43) HTTMAPTRAB9ANPSR1KMT2A
SCHEMBL2017050 0.85 SLC40A1 (0.40) HTTMAPTRAB9ANPSR1KMT2A
SCHEMBL2017422 0.85 MAPT (0.43) HTTMAPTRAB9ANPSR1KMT2A

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