SCHEMBL29051801

SCHEMBL29051801

CS(=O)(=O)N(Cl)c1ncccc1CNc1nc(Nc2ccc3c(c2)CCNC3)ncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 19/20 0.50
▸ PTK2B Q14289 5/20 0.50
▸ BTK Q06187 2/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ ROCK2 O75116 1/20 0.49
▸ STK16 O75716 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PAK4 O96013 1/20 0.49
▸ CHEK2 O96017 1/20 0.49
▸ NTRK1 P04629 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ INSR P06213 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ CDK1 P06493 1/20 0.49

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 0.90 WEE1 (0.45) PTK2BTKINSRMETAXL
SCHEMBL29051912 0.90 PTK2 (0.49) PTK2PTK2BBTKAURKAMET
Hydrochloric Acid SCHEMBL29051798 0.87 PTK2 (0.47) PTK2PTK2BBTKPLK4AURKA
SCHEMBL30468470 0.85 PTK2 (0.47) PTK2PTK2BBTKPLK4AURKA
SCHEMBL29051916 0.85 STK17B (0.46) PTK2PTK2BAURKAJAK2STK16
SCHEMBL30468452 0.85 PTK2 (0.59) PTK2PTK2BBTKPLK4AURKA
Hydrochloric Acid SCHEMBL29051677 0.85 PTK2 (0.46) PTK2PTK2BBTKPLK4AURKA
Hydrochloric Acid SCHEMBL29051817 0.84 PTK2 (0.58) PTK2PTK2BBTKPLK4AURKA
Hydrochloric Acid SCHEMBL29051911 0.83 PTK2 (0.51) PTK2BTKMETFLT3STK17A
SCHEMBL29051707 0.81 PTK2 (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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