SCHEMBL1645969

SCHEMBL1645969

Fc1ccc(-c2nn(CC3CCCO3)cc2-c2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.49
MAPK13 O15264 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SRC P12931 2/20 0.43

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
SCHEMBL1645638 0.85 CYP2C9 (0.45) AURKAAURKBCYP3A4CYP2C9CYP2C19
SCHEMBL16105552 0.84 CSNK1D (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647083 0.82 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1648428 0.76 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4713736 0.76 BRAF (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647435 0.76 CSNK1D (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647208 0.75 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646985 0.75 CSNK1D (0.48) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6028249 0.74 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6077643 0.74 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1D

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-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-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