SCHEMBL29051860

SCHEMBL29051860

CC1(C)CNCCc2cc(Nc3ncc(Cl)c(NCc4nccnc4N(Cl)S(C)(=O)=O)n3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 16/20 0.41
▸ PTK2B Q14289 1/20 0.39
▸ WEE1 P30291 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ STK17B O94768 2/20 0.39
▸ STK17A Q9UEE5 2/20 0.39

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
SCHEMBL29051916 0.90 STK17B (0.46) PTK2PTK2BWEE1INSRALK
SCHEMBL29051789 0.89 WEE1 (0.45) PTK2WEE1INSRALKSTK17B
Hydrochloric Acid SCHEMBL29051858 0.87 PTK2 (0.42) PTK2WEE1INSRALKSTK17B
SCHEMBL29051688 0.84 ALK (0.43) PTK2PTK2BWEE1INSRALK
SCHEMBL29051735 0.84 ALK (0.48) PTK2PTK2BWEE1INSRALK
SCHEMBL29051707 0.81 PTK2 (0.46) PTK2PTK2BWEE1
SCHEMBL29051801 0.79 PTK2 (0.50) PTK2PTK2BINSRALKSTK17A
SCHEMBL29051823 0.79 PTK2 (0.49) PTK2PTK2BWEE1
SCHEMBL29051766 0.77 PTK2 (0.50) PTK2PTK2BWEE1INSRALK
Hydrochloric Acid SCHEMBL29051915 0.76 STK17B (0.47) PTK2INSRALKSTK17BSTK17A

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