SCHEMBL14312571

SCHEMBL14312571

Cc1nc(-c2ncccn2)ncc1OC(=O)Nn1cc(C(F)F)c2cnccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.40
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ ELANE P08246 2/20 0.31
▸ NTRK1 P04629 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
SCHEMBL14313327 0.87 HPGDS (0.31) HPGDS
SCHEMBL14312870 0.87 HPGDS (0.39) HPGDSBCHEACHENTRK1
SCHEMBL14312676 0.86 TGFBR1 (0.32) HPGDS
SCHEMBL14313407 0.86 HPGDS (0.30) HPGDS
SCHEMBL14313182 0.85 HPGDS (0.50) HPGDSBCHEACHEELANENTRK1
SCHEMBL14313085 0.85 HPGDS (0.39) HPGDS
SCHEMBL14313347 0.85 HPGDS (0.37) HPGDS
SCHEMBL14313267 0.84 HPGDS (0.43) HPGDSBCHEACHEELANENTRK1
SCHEMBL14313042 0.83 HPGDS (0.49) HPGDS
SCHEMBL14313348 0.81 HPGDS (0.37) 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
Send feedback