SCHEMBL29051823

SCHEMBL29051823

CS(=O)(=O)N(Cl)c1nccnc1CNc1nc(Nc2ccc3c(c2)CCNC3)ncc1C#N

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 15/20 0.49
▸ PTK2B Q14289 1/20 0.43
▸ BTK Q06187 3/20 0.42
▸ WEE1 P30291 2/20 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 0.89 WEE1 (0.45) PTK2BTKWEE1
SCHEMBL29051707 0.89 PTK2 (0.46) PTK2PTK2BWEE1
Hydrochloric Acid SCHEMBL29051821 0.86 PTK2 (0.45) PTK2PTK2BBTKWEE1
SCHEMBL29051916 0.85 STK17B (0.46) PTK2PTK2BWEE1
SCHEMBL30468400 0.84 PTK2 (0.45) PTK2PTK2BBTKWEE1
Hydrochloric Acid SCHEMBL29051784 0.84 PTK2 (0.44) PTK2PTK2BBTKWEE1
SCHEMBL30468423 0.81 PTK2 (0.54) PTK2PTK2BWEE1
Hydrochloric Acid SCHEMBL29051834 0.80 PTK2 (0.53) PTK2PTK2BWEE1
SCHEMBL29051801 0.80 PTK2 (0.50) PTK2PTK2BBTK
SCHEMBL29051688 0.79 ALK (0.43) PTK2PTK2BWEE1

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