SCHEMBL1645407

SCHEMBL1645407

CCNc1cc(-c2cn(C3CCCCO3)nc2-c2ccc(F)cc2)ncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MERTK Q12866 3/20 0.36
AXL P30530 2/20 0.36
TYRO3 Q06418 2/20 0.36
SLC34A1 Q06495 2/20 0.36
ABL1 P00519 1/20 0.36
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
MAPK14 Q16539 3/20 0.35
MAP4K4 O95819 1/20 0.35
EGFR P00533 1/20 0.35
FRK P42685 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
SCHEMBL1647734 0.90 CYP1A2 (0.38) BRAFUSP2ALDH1A1CYP1A2CYP2D6
SCHEMBL1646343 0.79 ELOVL1 (0.40) HSD17B10EGFRCSNK1DCSNK1E
SCHEMBL1645954 0.78 GRM5 (0.45) BRAFSLC34A1ABL1MAP4K4EGFR
SCHEMBL1648433 0.76 BRAF (0.40) BRAFCYP1A2CYP2D6ABL1MAPK13
SCHEMBL1646713 0.74 CSNK1D (0.44) BRAFABL1MAPK13MAPK12MAPK11
SCHEMBL1645879 0.74 RIPK3 (0.47) ABL1MAPK14CSNK1D
SCHEMBL1647002 0.73 MAPK14 (0.42) BRAFTYRO3ABL1MAPK11MAPK14
SCHEMBL1645732 0.73 MAPK14 (0.43) BRAFALDH1A1ABL1MAPK13MAPK12
SCHEMBL1647208 0.73 MAPK14 (0.51) BRAFMAPK13MAPK12MAPK11MAPK14
SCHEMBL1645070 0.72 CSNK1D (0.42) BRAFABL1MAPK13MAPK12MAPK11

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-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-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-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-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