SCHEMBL2054343

SCHEMBL2054343

NCCc1cc(Cl)c2cccnc2c1N1CCCC(F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
RAB9A P51151 6/20 0.39
NPSR1 Q6W5P4 6/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
TDP1 Q9NUW8 5/20 0.39
MAPT P10636 5/20 0.39
HTT P42858 5/20 0.39
KMT2A Q03164 4/20 0.39
HSP90AA1 P07900 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
GRM4 Q14833 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
NOD2 Q9HC29 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MPI P34949 2/20 0.38
NPC1 O15118 5/20 0.38
TP53 P04637 1/20 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
SCHEMBL2011741 0.95 METAP2 (0.42) METAP2RAB9ANPSR1KDM4ELMNA
SCHEMBL2015791 0.95 METAP2 (0.42) METAP2RAB9ANPSR1KDM4ELMNA
SCHEMBL2019128 0.88 METAP2 (0.44) METAP2RAB9ANPSR1KDM4ELMNA
SCHEMBL2014591 0.88 METAP2 (0.44) METAP2RAB9ANPSR1KDM4ELMNA
SCHEMBL2014589 0.88 METAP2 (0.44) METAP2RAB9ANPSR1KDM4ELMNA
SCHEMBL2011739 0.86 METAP2 (0.43) METAP2RAB9ANPSR1KDM4ELMNA
SCHEMBL2012021 0.85 METAP2 (0.40) METAP2RAB9ANPSR1KDM4ELMNA
SCHEMBL2014321 0.85 METAP2 (0.41) METAP2RAB9ANPSR1KDM4ELMNA
SCHEMBL2011476 0.83 METAP2 (0.43) METAP2RAB9ANPSR1KDM4ELMNA
SCHEMBL2011479 0.83 METAP2 (0.43) METAP2RAB9ANPSR1KDM4ELMNA

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