SCHEMBL2013917

SCHEMBL2013917

O=CCc1cc(Cl)c2cccnc2c1N1CCC(F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.43
HTT P42858 9/20 0.41
NPSR1 Q6W5P4 9/20 0.41
MAPT P10636 8/20 0.41
LMNA P02545 7/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
KDM4E B2RXH2 7/20 0.41
RAB9A P51151 7/20 0.41
TDP1 Q9NUW8 6/20 0.41
KMT2A Q03164 4/20 0.41
HSP90AA1 P07900 2/20 0.41
L3MBTL1 Q9Y468 7/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
NOD2 Q9HC29 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MPI P34949 2/20 0.40
TP53 P04637 2/20 0.39
ALOX12 P18054 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2018198 0.94 METAP2 (0.41) METAP2HTTNPSR1MAPTLMNA
SCHEMBL2014321 0.89 METAP2 (0.41) METAP2HTTNPSR1MAPTLMNA
SCHEMBL2012485 0.87 METAP2 (0.41) METAP2HTTNPSR1MAPTLMNA
SCHEMBL2012631 0.87 MAPT (0.40) METAP2HTTNPSR1MAPTLMNA
SCHEMBL2014016 0.87 MAPT (0.41) METAP2HTTNPSR1MAPTLMNA
SCHEMBL2014721 0.86 MAPT (0.44) METAP2HTTNPSR1MAPTLMNA
SCHEMBL2017442 0.86 SLC40A1 (0.44) METAP2HTTNPSR1MAPTLMNA
SCHEMBL2017119 0.86 METAP2 (0.42) METAP2HTTNPSR1MAPTLMNA
SCHEMBL2016552 0.85 METAP2 (0.43) METAP2HTTNPSR1MAPTLMNA
SCHEMBL2013576 0.85 METAP2 (0.42) METAP2HTTNPSR1MAPTLMNA

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