SCHEMBL29051916

SCHEMBL29051916

CS(=O)(=O)N(Cl)c1nccnc1CNc1nc(Nc2ccc3c(c2)CCNCC3)ncc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 2/20 0.46
▸ STK17A Q9UEE5 2/20 0.46
▸ ALK Q9UM73 3/20 0.45
▸ INSR P06213 2/20 0.45
▸ PTK2 Q05397 15/20 0.43
▸ AURKA O14965 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ STK16 O75716 1/20 0.41
▸ CDKL5 O76039 1/20 0.41
▸ LATS1 O95835 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ RET P07949 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ FER P16591 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ ERCC2 P18074 1/20 0.41

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
SCHEMBL29051789 0.95 WEE1 (0.45) STK17BSTK17AALKINSRPTK2
SCHEMBL29051688 0.91 ALK (0.43) STK17BSTK17AALKINSRPTK2
SCHEMBL29051860 0.90 PTK2 (0.41) STK17BSTK17AALKINSRPTK2
SCHEMBL29051735 0.89 ALK (0.48) ALKINSRPTK2AURKAJAK2
SCHEMBL29051707 0.87 PTK2 (0.46) PTK2AURKAJAK2STK16CDKL5
Hydrochloric Acid SCHEMBL29051915 0.85 STK17B (0.47) STK17BSTK17AALKINSRPTK2
SCHEMBL29051801 0.85 PTK2 (0.50) STK17AALKINSRPTK2AURKA
SCHEMBL29051823 0.85 PTK2 (0.49) PTK2WEE1PTK2B
SCHEMBL29051766 0.83 PTK2 (0.50) STK17AALKINSRPTK2AURKA
Hydrochloric Acid SCHEMBL29051788 0.81 BTK (0.45) STK17BSTK17AALKINSRPTK2

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