SCHEMBL14313293

SCHEMBL14313293

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

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.44
▸ TGFBR1 P36897 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
SCHEMBL14312793 0.87 HPGDS (0.33) HPGDS
SCHEMBL14313268 0.86 HPGDS (0.40) HPGDS
SCHEMBL14313333 0.86 HPGDS (0.49) HPGDSTGFBR1
SCHEMBL14312637 0.85 HPGDS (0.31) HPGDS
SCHEMBL14313927 0.77 HPGDS (0.42) HPGDS
SCHEMBL14313085 0.77 HPGDS (0.39) HPGDS
SCHEMBL14312911 0.76 HPGDS (0.50) HPGDS
SCHEMBL14312885 0.76 HPGDS (0.49) HPGDS
SCHEMBL14313421 0.76 CYP1A2 (0.38) HPGDS
SCHEMBL14312571 0.75 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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