SCHEMBL14312563

SCHEMBL14312563

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1ccc2ccncc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.41
▸ MAPT P10636 11/20 0.38
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33

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
SCHEMBL14312798 0.90 HPGDS (0.42) HPGDSMAPTGRIN2BCSNK1DWNT3A
SCHEMBL14313255 0.88 HPGDS (0.42) HPGDSMAPTGRIN2BCSNK1DWNT3A
SCHEMBL14313343 0.86 HPGDS (0.44) HPGDSGRIN1GRIN2BCSNK1DWNT3A
SCHEMBL14313134 0.86 HPGDS (0.41) HPGDSGRIN2BCSNK1DWNT3A
SCHEMBL14312407 0.85 HPGDS (0.39) HPGDSMAPTGRIN1GRIN2BCSNK1D
SCHEMBL14313344 0.85 HPGDS (0.40) HPGDSMAPTCSNK1DWNT3A
SCHEMBL14312696 0.85 HPGDS (0.43) HPGDSMAPTGRIN2BCSNK1DWNT3A
SCHEMBL14313002 0.85 HPGDS (0.41) HPGDSCSNK1DWNT3AJAK2JAK1
SCHEMBL3220594 0.84 HPGDS (0.52) HPGDSMAPTGRIN1GRIN2BCSNK1D
SCHEMBL14313171 0.84 HPGDS (0.46) HPGDSGRIN1GRIN2BCSNK1DWNT3A

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