SCHEMBL1937646

SCHEMBL1937646

O=CCc1cccc(Nc2ncc(C(F)(F)F)c(NCC3CC3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.66
FLT3 P36888 7/20 0.53
CHEK1 O14757 3/20 0.51
PTK2 Q05397 3/20 0.50
SYK P43405 1/20 0.49
EGFR P00533 1/20 0.47
BTK Q06187 1/20 0.47
PTK2B Q14289 1/20 0.47
NTRK1 P04629 2/20 0.46

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
SCHEMBL1936754 0.86 ULK1 (0.60)
SCHEMBL1937628 0.84 ULK1 (0.60) PRKCQFLT3CHEK1PTK2SYK
SCHEMBL1937645 0.82 PRKCQ (0.65) PRKCQFLT3CHEK1PTK2EGFR
SCHEMBL1916640 0.80 PRKCQ (0.79) PRKCQFLT3CHEK1PTK2SYK
SCHEMBL1917739 0.80 PRKCQ (1.00) PRKCQFLT3CHEK1
SCHEMBL1916646 0.79 PRKCQ (0.78) PRKCQFLT3CHEK1PTK2
SCHEMBL1917067 0.76 CHEK1 (0.65) PRKCQFLT3CHEK1PTK2SYK
SCHEMBL17545033 0.76 ULK1 (0.73) PRKCQFLT3CHEK1
SCHEMBL1916705 0.75 CHEK1 (0.72) PRKCQFLT3CHEK1PTK2SYK
SCHEMBL3283696 0.74 PRKCQ (0.78) PRKCQFLT3CHEK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331533-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025850-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed