SCHEMBL2013781

SCHEMBL2013781

COC[C@H]1CCCN1c1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c2cccnc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.36
METAP2 P50579 7/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34
ADORA2A P29274 4/20 0.33
ADORA1 P30542 2/20 0.33
SCN9A Q15858 1/20 0.33
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
PIM3 Q86V86 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL2013776 0.84 PIK3CD (0.42) FFAR2METAP2ROCK2ROCK1CDC42BPB
SCHEMBL2015604 0.82 METAP2 (0.40) FFAR2METAP2ROCK2ROCK1CDC42BPB
SCHEMBL2017050 0.82 SLC40A1 (0.40) METAP2PIK3CD
SCHEMBL2016811 0.81 METAP2 (0.34) METAP2PIK3CD
SCHEMBL2017831 0.81 METAP2 (0.38) METAP2
SCHEMBL2016501 0.80 KHK (0.36) METAP2
SCHEMBL2014977 0.80 SLC40A1 (0.38) METAP2PIK3CD
SCHEMBL2014980 0.80 SLC40A1 (0.38) METAP2PIK3CD
SCHEMBL2012342 0.79 MAPT (0.42) METAP2
SCHEMBL2015620 0.79 SMO (0.40)

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