SCHEMBL1647435

SCHEMBL1647435

O=C(Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.49
CSNK1E P49674 7/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
BRAF P15056 7/20 0.43
SRC P12931 2/20 0.43
KDR P35968 2/20 0.43
GRIN2B Q13224 2/20 0.41
BMPR1B O00238 2/20 0.39
CIT O14578 2/20 0.39
RIPK2 O43353 2/20 0.39
STK10 O94804 2/20 0.39
MAP4K4 O95819 2/20 0.39
ABL1 P00519 2/20 0.39
RAF1 P04049 2/20 0.39

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
SCHEMBL1646985 0.99 CSNK1D (0.48) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL14411548 0.82 MAPK14 (0.57) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL16105251 0.78 MAPK14 (0.55) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL1647083 0.77 MAPK14 (0.57) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL1892201 0.76 CSNK1D (0.65) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL6077523 0.76 CSNK1D (0.65) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL1645969 0.76 MAPK14 (0.49) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL10358778 0.75 PTGIR (0.51) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL5448018 0.74 MAPK14 (0.59) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL1646293 0.74 PTGIR (0.62) CSNK1DCSNK1EMAPK13MAPK12MAPK11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP disclosed