SCHEMBL14312771

SCHEMBL14312771

O=C(Nn1ccc2ncccc21)Oc1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 10/20 0.38
▸ MET P08581 2/20 0.36
▸ HPGDS O60760 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL14313417 0.86 MET (0.39) METHPGDSWNT3A
SCHEMBL3219716 0.85 GRIN2B (0.41) GRIN2BHPGDSCYP1A2CYP3A4WNT3A
SCHEMBL14313134 0.85 HPGDS (0.41) GRIN2BMETHPGDSWNT3A
SCHEMBL14312791 0.85 NR3C2 (0.36) GRIN2BMETHPGDSWNT3A
SCHEMBL14312890 0.84 SLC22A12 (0.37) METHPGDSWNT3ABCHEACHE
SCHEMBL14312729 0.84 MET (0.39) GRIN2BMETHPGDSWNT3A
SCHEMBL14312803 0.78 MET (0.39) METHPGDS
SCHEMBL14312907 0.78 PTGS2 (0.39) METHPGDS
SCHEMBL3213787 0.78 HPGDS (0.56) GRIN2BHPGDSCYP1A2CYP3A4WNT3A
SCHEMBL14313117 0.76 HPGDS (0.38) GRIN2BMETHPGDSCYP1A2

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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