SCHEMBL4814508

SCHEMBL4814508

FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccccn4)n3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 10/20 0.69
METAP2 P50579 8/20 0.52
METAP1 P53582 6/20 0.52
NPC1 O15118 4/20 0.52
PKM P14618 4/20 0.52
RAB9A P51151 4/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 2/20 0.52
MTOR P42345 1/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 1/20 0.52
RUNX1 Q01196 1/20 0.49
NPBWR1 P48145 1/20 0.47
TP53 P04637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BACE1 P56817 1/20 0.45

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
SCHEMBL179138 0.92 CBFB (0.80) CBFBMETAP2METAP1NPC1PKM
SCHEMBL4811680 0.90 CBFB (0.85) CBFBMETAP2METAP1NPC1PKM
SCHEMBL4812598 0.83 CBFB (0.67) CBFBMETAP2METAP1NPC1PKM
SCHEMBL4811396 0.81 CBFB (0.67) CBFBMETAP2METAP1NPC1PKM
SCHEMBL4812979 0.81 METAP2 (0.67) CBFBMETAP2METAP1NPC1PKM
SCHEMBL4808230 0.80 METAP2 (0.81) CBFBMETAP2METAP1NPC1PKM
SCHEMBL4815533 0.79 CBFB (0.84) CBFBMETAP2METAP1NPC1PKM
SCHEMBL13672556 0.79 METAP2 (0.80) CBFBMETAP2METAP1NPC1PKM
Hydrochloric Acid SCHEMBL4812284 0.78 METAP2 (0.79) CBFBMETAP2METAP1NPC1PKM
SCHEMBL4805851 0.78 NPC1 (0.69) CBFBMETAP2METAP1NPC1PKM

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
US-7459457-B2 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2008-12-02 US claimed