SCHEMBL14313322

SCHEMBL14313322

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(C#N)c2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.42
▸ GRM5 P41594 1/20 0.37
▸ XDH P47989 4/20 0.36
▸ AR P10275 1/20 0.35
▸ PIK3CD O00329 2/20 0.34
▸ PIK3R1 P27986 2/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL14313439 0.89 HPGDS (0.54) HPGDSHCRTR1HCRTR2SCN9APSEN1
SCHEMBL14312802 0.87 HPGDS (0.44) HPGDSHCRTR1HCRTR2SCN9APSEN1
SCHEMBL14313193 0.87 HPGDS (0.40) HPGDSGRM5XDHPIK3CDPIK3R1
SCHEMBL12083746 0.85 HPGDS (0.59) HPGDSGRM5XDHARPIK3CD
SCHEMBL14313346 0.83 HPGDS (0.41) HPGDSHCRTR1HCRTR2PSEN1PSEN2
SCHEMBL14313248 0.83 HPGDS (0.41) HPGDSMAP4K4HCRTR1HCRTR2
SCHEMBL14313409 0.83 HPGDS (0.43) HPGDSGRM5SCN9A
SCHEMBL14313356 0.82 HPGDS (0.51) HPGDSGRM5HCRTR1HCRTR2PSEN1
SCHEMBL14312738 0.82 HPGDS (0.39) HPGDSGRM5XDHHCRTR1HCRTR2
SCHEMBL14313025 0.82 HPGDS (0.46) HPGDSSCN9A

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
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
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