SCHEMBL1645694

SCHEMBL1645694

Fc1cccc(F)c1-c1nn(C2CCC2)cc1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.45
MAPK3 P27361 8/20 0.45
MAPK1 P28482 8/20 0.45
PDE4D Q08499 2/20 0.40
TGFBR1 P36897 2/20 0.40
MAPK14 Q16539 2/20 0.40
RIPK2 O43353 1/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK13 O15264 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL1646250 0.97 BRAF (0.47) BRAFMAPK3MAPK1PDE4DTGFBR1
SCHEMBL1645636 0.79 CSNK1D (0.58) BRAFMAPK3MAPK1MAPK14KDR
SCHEMBL16105280 0.78 MAPK14 (0.57) BRAFMAPK3MAPK1MAPK14KDR
SCHEMBL1554947 0.73 MAPK14 (0.43) BRAFMAPK14KDRNPC1LMNA
SCHEMBL1645638 0.72 CYP2C9 (0.45) LMNA
SCHEMBL1646288 0.72 S1PR1 (0.47) NPC1LMNARAB9A
SCHEMBL24950778 0.70 BRAF (0.54) BRAFMAPK3MAPK1PDE4DMAPK14
SCHEMBL1647868 0.70 PDE10A (0.49) BRAFMAPK14KDRNPC1LMNA
SCHEMBL6077687 0.70 BRAF (0.61) BRAFMAPK3MAPK1MAPK14KDR
SCHEMBL7735863 0.70 DRD2 (0.50) BRAFMAPK3MAPK1PDE4DTGFBR1

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-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-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