SCHEMBL28515708

SCHEMBL28515708

O[C@H]1CC[C@@H](Nc2nc(Nc3cc[c]cc3)ncc2C(F)(F)F)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.71
KIT P10721 5/20 0.71
ULK1 O75385 14/20 0.67
ULK2 Q8IYT8 3/20 0.67

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
SCHEMBL17545176 0.86 ULK1 (0.88) FLT3KITULK1ULK2
SCHEMBL5806495 0.83 ULK1 (0.76) FLT3KITULK1ULK2
SCHEMBL28515711 0.83 FLT3 (1.00) FLT3KITULK1ULK2
SCHEMBL28507195 0.83 FLT3 (0.83) FLT3KITULK1ULK2
SCHEMBL1916412 0.82 FLT3 (0.67) FLT3KITULK1ULK2
SCHEMBL1916411 0.82 FLT3 (0.67) FLT3KITULK1ULK2
SCHEMBL1917078 0.82 FLT3 (0.67) FLT3KITULK1ULK2
SCHEMBL17544373 0.80 ULK1 (1.00) FLT3KITULK1ULK2
SCHEMBL1916420 0.80 FLT3 (0.65) FLT3KITULK1ULK2
SCHEMBL1916421 0.80 FLT3 (0.65) FLT3KITULK1ULK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732548-A N2-carbamyl aromatic ring-2-aminopyrimidine derivatives and medical application thereof UNIV ZHEJIANG 2020-10-02 CN claimed
CN-111732548-B N2-carbamyl aromatic ring-2-aminopyrimidine derivatives and medical application thereof 浙江大学 2022-06-17 CN disclosed
CN-111732548-A N2-carbamyl aromatic ring-2-aminopyrimidine derivatives and medical application thereof UNIV ZHEJIANG 2020-10-02 CN disclosed