SCHEMBL1645150

SCHEMBL1645150

NC(=O)c1cc(-c2cn(C3CCCCO3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.40
CSNK1E P49674 5/20 0.40
KCNH2 Q12809 2/20 0.40
ABL1 P00519 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
BRAF P15056 3/20 0.37
MAPK3 P27361 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPK14 Q16539 3/20 0.36
NR3C2 P08235 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
ATR Q13535 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
TGFBR1 P36897 1/20 0.35
POLB P06746 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
SCHEMBL1649098 0.89 ABL1 (0.41) CSNK1DCSNK1EKCNH2ABL1CYP4F2
SCHEMBL1645070 0.87 CSNK1D (0.42) CSNK1DCSNK1EKCNH2ABL1CYP4F2
SCHEMBL1646072 0.86 MCL1 (0.42) CSNK1DCSNK1EKCNH2ABL1BRAF
SCHEMBL1646713 0.85 CSNK1D (0.44) CSNK1DCSNK1EKCNH2ABL1CYP4F2
SCHEMBL1646835 0.84 BRAF (0.38) ABL1BRAFATRBTK
SCHEMBL1647208 0.82 MAPK14 (0.51) CSNK1DCSNK1EBRAFMAPK3MAPK1
SCHEMBL1647509 0.82 RIPK3 (0.46) CSNK1DABL1BRAFMAPK14NR3C2
SCHEMBL1645879 0.82 RIPK3 (0.47) CSNK1DABL1MAPK14GSK3B
SCHEMBL1645057 0.82 MAPK14 (0.43) CSNK1DCSNK1EABL1MAPK14NR3C2
SCHEMBL1645134 0.80 MAPK14 (0.42) CSNK1DABL1BRAFMAPK14GSK3B

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