SCHEMBL14312890

SCHEMBL14312890

O=C(Nn1ccc2cccnc21)Oc1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 5/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ HPGDS O60760 3/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ MET P08581 2/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 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
SCHEMBL14313002 0.86 HPGDS (0.41) SLC22A12JAK2JAK1TYK2JAK3
SCHEMBL14313417 0.86 MET (0.39) HPGDSCSNK1DWNT3AMETHDAC3
SCHEMBL3217942 0.85 JAK2 (0.41) SLC22A12JAK2JAK1TYK2JAK3
SCHEMBL14312771 0.84 GRIN2B (0.38) SLC22A12HPGDSWNT3AMETBCHE
SCHEMBL14312729 0.84 MET (0.39) HPGDSCSNK1DWNT3AMETHDAC1
SCHEMBL14312654 0.81 HPGDS (0.39) SLC22A12HPGDSPARP1
SCHEMBL14312791 0.79 NR3C2 (0.36) HPGDSWNT3AMETHDAC1HDAC6
SCHEMBL3221574 0.78 HPGDS (0.53) SLC22A12JAK2JAK1TYK2JAK3
SCHEMBL14312803 0.78 MET (0.39) HPGDSMET
SCHEMBL14312907 0.78 PTGS2 (0.39) HPGDSMET

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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