SCHEMBL29052245

SCHEMBL29052245

CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCN(C(=O)O)C4)ncc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.54
▸ NTRK1 P04629 9/20 0.52
▸ ULK1 O75385 2/20 0.51
▸ PTK2B Q14289 2/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CCNB1 P14635 1/20 0.51
▸ CDK7 P50613 1/20 0.51
▸ JAK3 P52333 3/20 0.49
▸ NTRK3 Q16288 1/20 0.49
▸ NTRK2 Q16620 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ BCL6 P41182 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
SCHEMBL29051777 0.91 BRD4 (0.54) NTRK1JAK3NTRK3NTRK2JAK2
SCHEMBL29051926 0.86 BTK (0.47) PTK2NTRK1JAK3
SCHEMBL29051738 0.83 PTK2 (0.50) PTK2
SCHEMBL29052266 0.82 INSR (0.46) PTK2NTRK1PTK2B
SCHEMBL6209873 0.79 PTK2 (0.79) PTK2NTRK1ULK1PTK2BCDK1
SCHEMBL29051826 0.77 CHEK1 (0.45) NTRK1
SCHEMBL12998622 0.77 PTK2 (0.71) PTK2ULK1PTK2BCDK1CCNB1
SCHEMBL6213126 0.75 PTK2 (0.70) PTK2NTRK1ULK1PTK2BCDK1
SCHEMBL15560708 0.74 JAK3 (0.59) PTK2NTRK1JAK3JAK2
SCHEMBL12998603 0.74 PTK2 (0.75) PTK2ULK1PTK2BCDK1CCNB1

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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