SCHEMBL2018198

SCHEMBL2018198

O=CCc1cc(Cl)c2cccnc2c1N1CC[C@H](F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.41
NPSR1 Q6W5P4 8/20 0.40
HTT P42858 8/20 0.40
MAPT P10636 7/20 0.40
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
KDM4E B2RXH2 6/20 0.40
TDP1 Q9NUW8 5/20 0.40
RAB9A P51151 5/20 0.40
KMT2A Q03164 4/20 0.40
HSP90AA1 P07900 2/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MPI P34949 2/20 0.39
SLC40A1 Q9NP59 1/20 0.38
NPC1 O15118 4/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL2014321 0.95 METAP2 (0.41) METAP2NPSR1HTTMAPTLMNA
SCHEMBL2013917 0.94 METAP2 (0.43) METAP2NPSR1HTTMAPTLMNA
SCHEMBL2017442 0.88 SLC40A1 (0.44) METAP2NPSR1HTTMAPTLMNA
SCHEMBL2012724 0.86 METAP2 (0.39) METAP2NPSR1HTTMAPTLMNA
SCHEMBL2015107 0.86 MAPT (0.39) METAP2NPSR1HTTMAPTLMNA
SCHEMBL2013352 0.85 METAP2 (0.43) METAP2NPSR1HTTMAPTLMNA
SCHEMBL2011741 0.84 METAP2 (0.42) METAP2NPSR1HTTMAPTLMNA
SCHEMBL2015791 0.84 METAP2 (0.42) METAP2NPSR1HTTMAPTLMNA
SCHEMBL2012631 0.83 MAPT (0.40) METAP2NPSR1HTTMAPTLMNA
SCHEMBL2012485 0.83 METAP2 (0.41) METAP2NPSR1HTTMAPTLMNA

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