SCHEMBL1645954

SCHEMBL1645954

Fc1ccc(-c2nn(C3CCCCO3)cc2-c2cc(-n3cccn3)ncn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.45
SLC34A1 Q06495 2/20 0.39
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK10 P53779 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
MAP4K4 O95819 1/20 0.35
EGFR P00533 1/20 0.35
FRK P42685 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1A1 P48729 1/20 0.35
GRIN2B Q13224 1/20 0.34
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34

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
SCHEMBL1645345 0.90 GRM5 (0.37) GRM5SLC34A1HTTSMN1; SMN2KDM4E
SCHEMBL1646343 0.84 ELOVL1 (0.40) HTTKDM4ELMNAEGFRCSNK1D
SCHEMBL1645407 0.78 BRAF (0.37) GRM5SLC34A1MAP4K4EGFRFRK
SCHEMBL1648433 0.75 BRAF (0.40) KDM4EMAP4K4EGFRFRKMAPK9
SCHEMBL1647208 0.75 MAPK14 (0.51) MAPK1MAPK9CSNK1DCSNK1EBRAF
SCHEMBL1646713 0.74 CSNK1D (0.44) MAPK1CSNK1DCSNK1EABL1BRAF
SCHEMBL1645070 0.74 CSNK1D (0.42) MAPK1EGFRGRIN2BCSNK1DCSNK1E
SCHEMBL1645732 0.73 MAPK14 (0.43) SMN1; SMN2LMNAJAK3MAP4K4EGFR
SCHEMBL1647326 0.72 MAPK14 (0.43) CSNK1DCSNK1EKCNH2
SCHEMBL1645150 0.72 CSNK1D (0.40) MAPK1CSNK1DCSNK1EABL1BRAF

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-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-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