SCHEMBL29052266

SCHEMBL29052266

CS(=O)(=O)Nc1ncccc1CNc1nc(Nc2ccc3c(c2)CCN(C(=O)O)C3)ncc1Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 5/20 0.46
▸ ALK Q9UM73 4/20 0.46
▸ CHEK1 O14757 5/20 0.45
▸ FLT3 P36888 5/20 0.45
▸ PTK2 Q05397 2/20 0.45
▸ BTK Q06187 1/20 0.44
▸ AXL P30530 2/20 0.44
▸ MET P08581 4/20 0.43
▸ NTRK1 P04629 2/20 0.43
▸ PTK2B Q14289 1/20 0.42

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
SCHEMBL29051940 0.92 FLT3 (0.46) INSRALKCHEK1FLT3PTK2
SCHEMBL29051865 0.91 FLT3 (0.47) INSRALKCHEK1FLT3PTK2
SCHEMBL29051738 0.90 PTK2 (0.50) INSRALKCHEK1FLT3PTK2
SCHEMBL29051705 0.89 FLT3 (0.58) INSRALKCHEK1FLT3PTK2
SCHEMBL29051857 0.89 PTK2 (0.47) INSRALKCHEK1FLT3PTK2
SCHEMBL29052245 0.82 PTK2 (0.54) PTK2NTRK1PTK2B
SCHEMBL29051926 0.82 BTK (0.47) INSRALKCHEK1FLT3PTK2
Hydrochloric Acid SCHEMBL29051798 0.82 PTK2 (0.47) INSRALKFLT3PTK2BTK
SCHEMBL29051729 0.81 FLT3 (0.48) CHEK1FLT3BTK
SCHEMBL29052199 0.81 FLT3 (0.49) CHEK1FLT3AXL

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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