SCHEMBL1647136

SCHEMBL1647136

CCC(C)n1cc(-c2ccncc2)c(-c2c(F)cccc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.40
CSNK1D P48730 3/20 0.40
CSNK1E P49674 3/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
BRAF P15056 4/20 0.34
SRC P12931 2/20 0.34
KDR P35968 2/20 0.34
RIPK3 Q9Y572 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KCNH2 Q12809 1/20 0.33
DYRK1A Q13627 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL1554947 0.87 MAPK14 (0.43) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1647505 0.82 MAPK14 (0.62) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1646701 0.80 S1PR1 (0.41) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL2049813 0.78 MAPK13 (0.39) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1646948 0.74 RIPK3 (0.36) MAPK14CSNK1DCSNK1ENPC1LMNA
SCHEMBL1646563 0.74 MAPK13 (0.40) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1647868 0.73 PDE10A (0.49) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL2050657 0.72 MAPK13 (0.36) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1648437 0.72 MAPK13 (0.38) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL2052966 0.72 MAPK13 (0.35) MAPK14CSNK1DCSNK1EMAPK13MAPK12

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-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-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-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-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-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP disclosed