SCHEMBL29989759

SCHEMBL29989759

Fc1cccc(Nc2ncc(C(F)(F)F)c(NCCCN3CCCC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.50
FLT3 P36888 8/20 0.50
TBK1 Q9UHD2 4/20 0.49
KIT P10721 2/20 0.49
POLB P06746 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
STK17A Q9UEE5 2/20 0.48
SYK P43405 1/20 0.48
PDPK1 O15530 2/20 0.48
STK17B O94768 1/20 0.48
NTRK1 P04629 3/20 0.48

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
SCHEMBL27403085 1.00 CHEK1 (0.50) CHEK1FLT3TBK1KITPOLB
SCHEMBL27087891 0.86 TBK1 (0.51) CHEK1FLT3TBK1KITSTK17A
SCHEMBL1916143 0.85 STK17A (0.56) CHEK1FLT3KITSTK17ASTK17B
SCHEMBL3284584 0.84 STK17A (0.55) CHEK1FLT3KITSTK17ASTK17B
SCHEMBL27087858 0.80 CHEK1 (0.63) CHEK1FLT3KIT
SCHEMBL29989296 0.80 CHEK1 (0.63) CHEK1FLT3KIT
SCHEMBL1917119 0.79 ULK1 (0.48) CHEK1FLT3TBK1KITSTK17A
SCHEMBL1918823 0.79 CHEK1 (0.49) CHEK1FLT3TBK1KITSTK17A
SCHEMBL1916130 0.78 STK17A (0.53) CHEK1FLT3KITSTK17ASTK17B
SCHEMBL3284402 0.78 STK17A (0.52) CHEK1FLT3KITSTK17ASTK17B

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-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 WO disclosed