SCHEMBL1646563

SCHEMBL1646563

CC(C)(C)Cn1cc(-c2ccncc2)c(-c2c(F)cccc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PDE10A Q9Y233 2/20 0.39
SRC P12931 2/20 0.37
BRAF P15056 2/20 0.37
KDR P35968 2/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL1647868 0.88 PDE10A (0.49) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL1646701 0.82 S1PR1 (0.41) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL1648437 0.79 MAPK13 (0.38) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL1554947 0.76 MAPK14 (0.43) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL1647136 0.74 MAPK14 (0.40) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL1648133 0.73 S1PR1 (0.40) CSNK1DCSNK1EMAPK14KDRNPC1
SCHEMBL1847759 0.72 BRAF (0.40) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL1645638 0.72 CYP2C9 (0.45) LMNA
SCHEMBL9887881 0.72 MAPK1 (0.36) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL2317938 0.71 BRAF (0.33) MAPK13CSNK1DCSNK1EMAPK12MAPK11

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