SCHEMBL2017831

SCHEMBL2017831

COCCN1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MPI P34949 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
NOD2 Q9HC29 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.35
HSP90AA1 P07900 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 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
SCHEMBL2012342 0.86 MAPT (0.42) METAP2KDM4ELMNAMAPTHTT
SCHEMBL2013197 0.86 LMNA (0.40) METAP2KDM4ELMNAMAPTHTT
SCHEMBL2015620 0.86 SMO (0.40) KDM4ELMNAMAPTHTTSMN1; SMN2
SCHEMBL2017050 0.84 SLC40A1 (0.40) METAP2KDM4ELMNAMAPTHTT
SCHEMBL2017829 0.84 PIK3CD (0.43) METAP2KDM4ELMNAMAPTHTT
SCHEMBL2051951 0.83 PIK3CD (0.35) METAP2KDM4ELMNAMAPTHTT
SCHEMBL2012273 0.82 HTT (0.39) METAP2KDM4ELMNAMAPTHTT
SCHEMBL2012932 0.81 ABCC1 (0.33) METAP2KDM4ELMNAMAPTHTT
SCHEMBL2013837 0.81 BTK (0.37) KDM4ELMNAMAPTHTTSMN1; SMN2
SCHEMBL2013781 0.81 FFAR2 (0.36) METAP2

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