SCHEMBL29051673

SCHEMBL29051673

CN(c1nccnc1CNc1nc(Nc2ccc3c(c2)CCN(CCO)CC3(C)C)ncc1Cl)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 16/20 0.47
▸ AURKA O14965 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ STK16 O75716 1/20 0.45
▸ CDKL5 O76039 1/20 0.45
▸ LATS1 O95835 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ RET P07949 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ FER P16591 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ ERCC2 P18074 1/20 0.45
▸ CSNK2A2 P19784 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ CDK2 P24941 1/20 0.45

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
SCHEMBL29051894 0.91 PTK2 (0.51) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29052365 0.85 PTK2 (0.48) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29051814 0.83 ALK (0.49) PTK2ALKINSR
SCHEMBL29051693 0.83 PTK2 (0.48) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29051709 0.83 PTK2 (0.51) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29051828 0.83 ALK (0.61) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29051706 0.79 PTK2 (0.49) PTK2ALKINSR
SCHEMBL29051770 0.79 PTK2 (0.48) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29052389 0.78 PTK2 (0.52) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29051766 0.77 PTK2 (0.50) PTK2AURKAJAK2STK16CDKL5

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