SCHEMBL2777601

SCHEMBL2777601

CC(C)c1cccc(Nc2ncc(C(F)(F)F)c(NC3CCCC3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 19/20 0.59
ULK2 Q8IYT8 5/20 0.59
FLT3 P36888 1/20 0.54

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
SCHEMBL1936257 0.88 ULK1 (0.61) ULK1ULK2FLT3
SCHEMBL17547570 0.82 ULK1 (0.67) ULK1ULK2FLT3
SCHEMBL1937038 0.80 ULK1 (0.63) ULK1ULK2
SCHEMBL1937627 0.80 PTK2 (0.64) ULK1ULK2FLT3
SCHEMBL1938235 0.78 SYK (0.50) ULK1
SCHEMBL1937628 0.78 ULK1 (0.60) ULK1ULK2FLT3
SCHEMBL2511202 0.78 KIT (0.62) ULK1ULK2FLT3
SCHEMBL17545176 0.77 ULK1 (0.88) ULK1ULK2FLT3
SCHEMBL1936755 0.77 ULK1 (0.62) ULK1ULK2
SCHEMBL24042601 0.76 ULK1 (0.66) ULK1ULK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed