SCHEMBL29051729

SCHEMBL29051729

Cc1cnc(Nc2ccc3c(c2)CCN(C(=O)O)C3)nc1NCc1nccnc1NS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 15/20 0.48
▸ CHEK1 O14757 8/20 0.48
▸ JAK2 O60674 7/20 0.47
▸ JAK3 P52333 3/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ BTK Q06187 3/20 0.44
▸ EGFR P00533 1/20 0.44
▸ STK17A Q9UEE5 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
SCHEMBL29052199 0.92 FLT3 (0.49) FLT3CHEK1JAK2EGFR
SCHEMBL29052136 0.90 FLT3 (0.46) FLT3CHEK1JAK2BTK
SCHEMBL29051940 0.89 FLT3 (0.46) FLT3CHEK1JAK2JAK3JAK1
SCHEMBL29051884 0.88 FLT3 (0.45) FLT3CHEK1JAK2TYK2
SCHEMBL29051907 0.82 BTK (0.45) FLT3CHEK1JAK2JAK3JAK1
SCHEMBL29051865 0.81 FLT3 (0.47) FLT3CHEK1JAK2JAK3TYK2
SCHEMBL29052266 0.81 INSR (0.46) FLT3CHEK1BTK
SCHEMBL29052409 0.80 FLT3 (0.44) FLT3CHEK1JAK2JAK3JAK1
SCHEMBL29051857 0.80 PTK2 (0.47) FLT3CHEK1JAK2JAK3TYK2
SCHEMBL29051705 0.80 FLT3 (0.58) FLT3CHEK1JAK2JAK3TYK2

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