SCHEMBL28507166

SCHEMBL28507166

N[C@H]1CC[C@H](Nc2nc(Nc3ccc(NC(=O)C4CC4)nc3)ncc2C(F)(F)F)CC1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 16/20 0.84
KIT P10721 15/20 0.84
ULK1 O75385 3/20 0.75
CHEK1 O14757 6/20 0.65
AURKA O14965 1/20 0.65
EGFR P00533 1/20 0.65
NTRK1 P04629 1/20 0.65
CDK1 P06493 1/20 0.65
IGF1R P08069 1/20 0.65
EPHA1 P21709 1/20 0.65
CDK2 P24941 1/20 0.65
BMX P51813 1/20 0.65
JAK3 P52333 1/20 0.65
CDK6 Q00534 1/20 0.65
PAK1 Q13153 1/20 0.65
ALK Q9UM73 1/20 0.65
ULK2 Q8IYT8 1/20 0.59

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
SCHEMBL28512968 0.92 FLT3 (1.00) FLT3KITULK1CHEK1AURKA
SCHEMBL28517796 0.92 FLT3 (1.00) FLT3KITULK1CHEK1AURKA
SCHEMBL17545019 0.86 ULK1 (1.00) FLT3KITULK1AURKAEGFR
SCHEMBL28507163 0.83 FLT3 (1.00) FLT3KITULK1CHEK1AURKA
SCHEMBL28519559 0.82 FLT3 (0.82) FLT3KITULK1CHEK1AURKA
SCHEMBL28519550 0.82 FLT3 (1.00) FLT3KITULK1CHEK1AURKA
SCHEMBL1916487 0.82 FLT3 (0.85) FLT3KITULK1CHEK1AURKA
SCHEMBL28522032 0.82 FLT3 (1.00) FLT3KITULK1CHEK1AURKA
SCHEMBL28512190 0.79 FLT3 (1.00) FLT3KITULK1CHEK1AURKA
SCHEMBL28383535 0.79 CHEK1 (1.00) FLT3KITULK1CHEK1ULK2

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