SCHEMBL2016907

SCHEMBL2016907

NCCc1ccc2cccnc2c1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
LMNA P02545 3/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44
CCR1 P32246 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
HTT P42858 1/20 0.44
MMP13 P45452 1/20 0.44
CCR5 P51681 1/20 0.44

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
SCHEMBL2010932 0.88 KDM4E (0.43) KDM4ELMNAGMNNTP53HSP90AA1
SCHEMBL2014257 0.81 KDM4E (0.42) KDM4ELMNAGMNNTP53HSP90AA1
SCHEMBL2011836 0.80 LMNA (0.40) KDM4ELMNAGMNNTP53HSP90AA1
SCHEMBL2011259 0.77 TAAR1 (0.43) KDM4ELMNAGMNNTP53HSP90AA1
SCHEMBL2015741 0.76 L3MBTL1 (0.44) KDM4ELMNATP53HSP90AA1CYP3A4
SCHEMBL2017406 0.76 LMNA (0.39) KDM4ELMNAGMNNTP53HSP90AA1
SCHEMBL2013343 0.76 KDM4E (0.36) KDM4ELMNAGMNNTP53HSP90AA1
SCHEMBL2016905 0.74 TP53 (0.43) KDM4ELMNAGMNNTP53HSP90AA1
SCHEMBL12707723 0.73 ALDH1A1 (0.49) KDM4ELMNAGMNNTP53HSP90AA1
SCHEMBL3906092 0.73 DPP4 (0.55) KDM4EHIF1ATAAR1NPC1HRH1

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