SCHEMBL22508269

SCHEMBL22508269

Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCN)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 8/20 0.79
CHEK1 O14757 12/20 0.75
FLT3 P36888 9/20 0.75
KIT P10721 2/20 0.61
STK17B O94768 3/20 0.61

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
SCHEMBL1917526 0.88 STK17A (0.79) STK17ACHEK1FLT3KITSTK17B
SCHEMBL1917543 0.88 STK17A (1.00) STK17ACHEK1FLT3STK17B
SCHEMBL28380266 0.85 CHEK1 (0.77) STK17ACHEK1FLT3KITSTK17B
SCHEMBL1916486 0.84 CHEK1 (0.83) STK17ACHEK1FLT3KIT
SCHEMBL3288718 0.84 STK17A (0.91) STK17ACHEK1FLT3STK17B
SCHEMBL1917864 0.83 STK17A (0.78) STK17ACHEK1FLT3KITSTK17B
SCHEMBL22508346 0.83 STK17A (0.65) STK17ASTK17B
SCHEMBL21365058 0.82 STK17A (0.78) STK17ASTK17B
SCHEMBL21364895 0.82 STK17A (0.81) STK17ASTK17B
SCHEMBL28383014 0.81 CHEK1 (1.00) CHEK1

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
EP-3539951-B1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES KOREA RES INST CHEMICAL TECH (KR) 2020-10-07 EP disclosed