SCHEMBL2015903

SCHEMBL2015903

COC[C@H]1CCCN1c1c(CC=O)cc(Cl)c2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.39
ADORA2A P29274 4/20 0.39
ADORA1 P30542 2/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 5/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MPI P34949 2/20 0.38
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL2015604 0.86 METAP2 (0.40) METAP2ADORA2AADORA1ALDH1A1NPSR1
SCHEMBL2165106 0.82 ADORA2A (0.45) ADORA2AADORA1ALDH1A1NPSR1MEN1
SCHEMBL2015905 0.81 METAP2 (0.39) METAP2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL2012485 0.81 METAP2 (0.41) METAP2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL2163166 0.80 ALDH1A1 (0.39) METAP2ADORA2AADORA1ALDH1A1NPSR1
SCHEMBL2012724 0.79 METAP2 (0.39) METAP2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL2016169 0.78 ADORA2A (0.40) METAP2ADORA2AADORA1ALDH1A1NPSR1
SCHEMBL2013781 0.76 FFAR2 (0.36) METAP2ADORA2AADORA1FFAR2
SCHEMBL2013917 0.76 METAP2 (0.43) METAP2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL2014321 0.76 METAP2 (0.41) METAP2ALDH1A1NPSR1MEN1KMT2A

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