SCHEMBL14313340

SCHEMBL14313340

CCc1cn(NC(=O)Oc2cnc(-c3nccs3)nc2C)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 2/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ HPGDS O60760 3/20 0.33
▸ SCN9A Q15858 4/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ AKR1A1 P14550 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ CTSA P10619 2/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL14313001 0.88 HPGDS (0.43) HPGDSAKR1A1AKR1B1PDE4APDE4B
SCHEMBL12084154 0.86 HPGDS (0.46) MAPK9MAPK8MAPK10HPGDSCCR2
SCHEMBL14313274 0.86 HPGDS (0.33) HPGDS
SCHEMBL14313161 0.85 HPGDS (0.48) HPGDSNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL14312960 0.83 HPGDS (0.36) MAPK9MAPK8MAPK10HPGDSSCN9A
SCHEMBL14312398 0.83 HPGDS (0.38) HPGDS
SCHEMBL14313349 0.83 HPGDS (0.32) MAPK9MAPK8MAPK10HPGDS
SCHEMBL14313003 0.82 HPGDS (0.39) HPGDS
SCHEMBL14313030 0.81 MAPK8 (0.33) MAPK9MAPK8MAPK10HPGDS
SCHEMBL14312951 0.81 HPGDS (0.38) HPGDSS1PR1

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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