SCHEMBL2013197

SCHEMBL2013197

Clc1cc(CCNc2ncnc3[nH]cnc23)c(N2CCN(Cc3ccncc3)CC2)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NOD2 Q9HC29 1/20 0.40
HTT P42858 5/20 0.39
HSP90AA1 P07900 2/20 0.39
METAP2 P50579 3/20 0.39
MPI P34949 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CTSB P07858 1/20 0.37
HUWE1 Q7Z6Z7 1/20 0.35
NPC1 O15118 4/20 0.35

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
SCHEMBL2017831 0.86 METAP2 (0.38) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2017050 0.85 SLC40A1 (0.40) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2051951 0.85 PIK3CD (0.35) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2012273 0.84 HTT (0.39) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2012342 0.83 MAPT (0.42) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2012932 0.82 ABCC1 (0.33) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2163159 0.82 PIK3CD (0.43) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2013837 0.82 BTK (0.37) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2014977 0.82 SLC40A1 (0.38) LMNAMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2014980 0.82 SLC40A1 (0.38) LMNAMAPTKDM4ERAB9ASMN1; SMN2

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 claimed