SCHEMBL14313013

SCHEMBL14313013

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(C2CCOCC2)c2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ RAF1 P04049 4/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ PDE1A P54750 2/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ PDE1C Q14123 2/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ GRM5 P41594 3/20 0.34
▸ MTOR P42345 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ KLKB1 P03952 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
SCHEMBL14312950 0.88 HPGDS (0.55) HPGDSPDE10ARAF1NTRK1
SCHEMBL14313439 0.85 HPGDS (0.54) HPGDS
SCHEMBL14312802 0.84 HPGDS (0.44) HPGDS
SCHEMBL14313280 0.84 MEN1 (0.42) HPGDSMTOR
SCHEMBL14313322 0.82 HPGDS (0.42) HPGDSGRM5
SCHEMBL14313409 0.80 HPGDS (0.43) HPGDSGRM5
SCHEMBL14313346 0.80 HPGDS (0.41) HPGDS
SCHEMBL14312868 0.80 TSHR (0.39) HPGDSMTORPIK3CA
SCHEMBL14313025 0.79 HPGDS (0.46) HPGDS
SCHEMBL14312968 0.79 HPGDS (0.40) HPGDS

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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