SCHEMBL27765633

SCHEMBL27765633

Nc1ccc(Oc2ccnc(N(C(=O)O)C(=O)Oc3ccccc3)c2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.35
GCK P35557 3/20 0.35
FAAH O00519 4/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NPY5R Q15761 1/20 0.32
BRAF P15056 1/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL1727414 0.96 CDK8 (0.36) CDK8GCKFAAHATMTDP1
SCHEMBL27724978 0.83 ATM (0.36) CDK8GCKFAAHATMTDP1
SCHEMBL3556176 0.82 MAOA (0.45) GCKFAAHATMTDP1L3MBTL1
SCHEMBL28012733 0.79 MAPK14 (0.37) GCKMAPK14BRAF
SCHEMBL3552349 0.78 MET (0.40) GCKBRAF
SCHEMBL12280370 0.76 CYP1A2 (0.36) GCKATMTDP1L3MBTL1EGFR
SCHEMBL3615623 0.75 MET (0.51) MAPK14EGFR
SCHEMBL6038491 0.74 L3MBTL1 (0.41) ATMTDP1L3MBTL1
SCHEMBL6038760 0.74 GCK (0.39) GCKBRAF
SCHEMBL1726338 0.74 NPC1 (0.44) MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101454311-B Salt of phenoxypyridine derivative, crystal thereof and process for producing the same EISAI R&D MAN CO LTD 2013-03-27 CN disclosed
CN-101454311-A Salt of phenoxypyridine derivative, crystal thereof and process for producing the same EISAI R&D MAN CO LTD (JP) 2009-06-10 CN disclosed