SCHEMBL29051767

SCHEMBL29051767

CC(C)C1CCc2cc(Nc3ncc(Cl)c(NCc4nccnc4N(C)S(C)(=O)=O)n3)ccc2CN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 19/20 0.49
▸ PTK2B Q14289 3/20 0.45
▸ AURKA O14965 2/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ STK16 O75716 2/20 0.45
▸ PAK4 O96013 2/20 0.45
▸ NTRK1 P04629 2/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ LYN P07948 2/20 0.45
▸ RET P07949 2/20 0.45
▸ FER P16591 2/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ ERCC2 P18074 2/20 0.45
▸ CSNK2A2 P19784 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ MARK3 P27448 2/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ FLT3 P36888 2/20 0.45
▸ CLK1 P49759 2/20 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
SCHEMBL29052414 0.92 PTK2 (0.47) PTK2PTK2BAURKAJAK2STK16
SCHEMBL29052389 0.82 PTK2 (0.52) PTK2PTK2BAURKAJAK2STK16
SCHEMBL29051766 0.80 PTK2 (0.50) PTK2PTK2BAURKAJAK2STK16
SCHEMBL29051770 0.79 PTK2 (0.48) PTK2PTK2BAURKAJAK2STK16
SCHEMBL29051894 0.79 PTK2 (0.51) PTK2PTK2BAURKAJAK2STK16
SCHEMBL29051789 0.79 WEE1 (0.45) PTK2WEE1INSRALKMET
SCHEMBL29051814 0.79 ALK (0.49) PTK2INSRALK
SCHEMBL30468423 0.78 PTK2 (0.54) PTK2PTK2BAURKAJAK2STK16
Hydrochloric Acid SCHEMBL29051834 0.77 PTK2 (0.53) PTK2PTK2BAURKAJAK2STK16
SCHEMBL29051916 0.77 STK17B (0.46) PTK2PTK2BAURKAJAK2STK16

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
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