SCHEMBL28512190

SCHEMBL28512190

CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 1.00
KIT P10721 10/20 1.00
AURKA O14965 1/20 0.78
EGFR P00533 1/20 0.78
NTRK1 P04629 1/20 0.78
CDK1 P06493 1/20 0.78
IGF1R P08069 1/20 0.78
EPHA1 P21709 1/20 0.78
CDK2 P24941 1/20 0.78
BMX P51813 1/20 0.78
JAK3 P52333 1/20 0.78
CDK6 Q00534 1/20 0.78
PAK1 Q13153 1/20 0.78
ALK Q9UM73 1/20 0.78
PTK2 Q05397 5/20 0.68
SYK P43405 1/20 0.66
ULK1 O75385 2/20 0.64
ULK2 Q8IYT8 1/20 0.64
CHEK1 O14757 3/20 0.64

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
SCHEMBL28519550 0.89 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL1916487 0.89 FLT3 (0.85) FLT3KITAURKAEGFRNTRK1
SCHEMBL28522032 0.89 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL28507163 0.86 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL28512968 0.83 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL28517796 0.83 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL28512856 0.82 FLT3 (0.72) FLT3KITAURKAEGFRNTRK1
SCHEMBL28514104 0.82 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL17545176 0.82 ULK1 (0.88) FLT3KITULK1ULK2
SCHEMBL28519559 0.82 FLT3 (0.82) FLT3KITAURKAEGFRNTRK1

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