SCHEMBL29051940

SCHEMBL29051940

Cc1cnc(Nc2ccc3c(c2)CCN(C(=O)O)C3)nc1NCc1cccnc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 13/20 0.46
▸ CHEK1 O14757 7/20 0.46
▸ PTK2 Q05397 3/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ BTK Q06187 5/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ EGFR P00533 1/20 0.44
▸ JAK2 O60674 6/20 0.44
▸ TYK2 P29597 3/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ PTK2B Q14289 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ STK16 O75716 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42

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
SCHEMBL29052266 0.92 INSR (0.46) FLT3CHEK1PTK2BTKPTK2B
SCHEMBL29051865 0.92 FLT3 (0.47) FLT3CHEK1PTK2BTKJAK3
SCHEMBL29051857 0.90 PTK2 (0.47) FLT3CHEK1PTK2BTKJAK3
SCHEMBL29051705 0.90 FLT3 (0.58) FLT3CHEK1PTK2BTKJAK3
SCHEMBL29051729 0.89 FLT3 (0.48) FLT3CHEK1BRD4BTKJAK3
SCHEMBL29051738 0.82 PTK2 (0.50) FLT3CHEK1PTK2BTKINSR
SCHEMBL29052199 0.81 FLT3 (0.49) FLT3CHEK1EGFRJAK2AURKA
SCHEMBL29052136 0.79 FLT3 (0.46) FLT3CHEK1PTK2BTKJAK2
SCHEMBL29051884 0.77 FLT3 (0.45) FLT3CHEK1PTK2JAK2TYK2
SCHEMBL30468412 0.75 PTK2 (0.47) FLT3PTK2BRD4BTKJAK3

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
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 — — CN disclosed
Send feedback