SCHEMBL14313333

SCHEMBL14313333

Cc1nc(-c2ncccn2)ncc1OC(=O)Nn1ccc2nc(C(F)(F)F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.49
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TGFBR1 P36897 3/20 0.31
▸ HCRTR1 O43613 2/20 0.30
▸ STING1 Q86WV6 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ IGF1R P08069 1/20 0.30

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
SCHEMBL14312699 0.87 HPGDS (0.37) HPGDS
SCHEMBL14313293 0.86 HPGDS (0.44) HPGDSTGFBR1
SCHEMBL14313159 0.86 HPGDS (0.39) HPGDSGRIN1GRIN2BSYK
SCHEMBL14313220 0.85 HPGDS (0.35) HPGDSHPGDTGFBR1
SCHEMBL14312817 0.84 HPGDS (0.35) HPGDS
SCHEMBL14312885 0.82 HPGDS (0.49) HPGDSKDM4E
SCHEMBL14313410 0.82 HPGDS (0.41) HPGDSTGFBR1HCRTR1SYK
SCHEMBL14313927 0.78 HPGDS (0.42) HPGDS
SCHEMBL14312653 0.77 HPGDS (0.49) HPGDSKDM4EHCRTR1
SCHEMBL14312911 0.77 HPGDS (0.50) HPGDSKDM4EALDH1A1HPGDGAA

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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