SCHEMBL2015604

SCHEMBL2015604

COC[C@H]1CCCN1c1c(CCN)cc(Cl)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.40
ADORA2A P29274 5/20 0.37
ADORA1 P30542 2/20 0.37
FFAR2 O15552 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 4/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 3/20 0.36
MPI P34949 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2015903 0.86 METAP2 (0.39) METAP2ADORA2AADORA1FFAR2NPSR1
SCHEMBL2163166 0.83 ALDH1A1 (0.39) METAP2ADORA2AADORA1FFAR2NPSR1
SCHEMBL2013781 0.82 FFAR2 (0.36) METAP2ADORA2AADORA1FFAR2ROCK1
SCHEMBL2012021 0.81 METAP2 (0.40) METAP2FFAR2NPSR1ALDH1A1MEN1
SCHEMBL2165106 0.81 ADORA2A (0.45) ADORA2AADORA1NPSR1ALDH1A1MEN1
SCHEMBL2011771 0.80 METAP2 (0.41) METAP2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL2017653 0.78 METAP2 (0.40) METAP2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL2016169 0.77 ADORA2A (0.40) METAP2ADORA2AADORA1NPSR1ALDH1A1
SCHEMBL2014589 0.75 METAP2 (0.44) METAP2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL2054343 0.75 METAP2 (0.42) METAP2NPSR1ALDH1A1MEN1KMT2A

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