SCHEMBL14313002

SCHEMBL14313002

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1ccc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.41
▸ CSNK1D P48730 1/20 0.36
▸ SLC22A12 Q96S37 5/20 0.36
▸ WNT3A P56704 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ ENPP3 O14638 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ROCK2 O75116 1/20 0.32

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
SCHEMBL14313262 0.90 HPGDS (0.42) HPGDSCSNK1DWNT3APSEN1PSEN2
SCHEMBL14312798 0.87 HPGDS (0.42) HPGDSCSNK1DWNT3APSEN1PSEN2
SCHEMBL14313134 0.86 HPGDS (0.41) HPGDSCSNK1DWNT3APDGFRBPDGFRA
SCHEMBL14312890 0.86 SLC22A12 (0.37) HPGDSCSNK1DSLC22A12WNT3AJAK2
SCHEMBL14313255 0.85 HPGDS (0.42) HPGDSCSNK1DWNT3APSEN1PSEN2
SCHEMBL14312563 0.85 HPGDS (0.41) HPGDSCSNK1DWNT3AJAK2JAK1
SCHEMBL3221574 0.84 HPGDS (0.53) HPGDSCSNK1DSLC22A12WNT3AJAK2
SCHEMBL14313148 0.84 HPGDS (0.43) HPGDSCSNK1DWNT3APDGFRBPDGFRA
SCHEMBL14312955 0.84 HPGDS (0.42) HPGDSCSNK1DWNT3APSEN1PSEN2
SCHEMBL14313197 0.83 HPGDS (0.40) HPGDSCSNK1DWNT3A

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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