SCHEMBL30468428

SCHEMBL30468428

CCS(=O)(=O)Nc1nccnc1CNc1ccnc(Nc2ccc3c(c2)CCNC3)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.42
▸ WEE1 P30291 11/20 0.41
▸ PTK2 Q05397 2/20 0.40
▸ CAMK2D Q13557 1/20 0.40
▸ PTK2B Q14289 1/20 0.39
▸ BTK Q06187 3/20 0.39

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
Hydrochloric Acid SCHEMBL29051869 0.99 ACVR1 (0.42) ACVR1WEE1PTK2CAMK2DPTK2B
SCHEMBL30468504 0.87 STK17A (0.45) WEE1PTK2CAMK2DBTK
Hydrochloric Acid SCHEMBL29051920 0.86 STK17A (0.44) WEE1PTK2CAMK2DBTK
SCHEMBL30468427 0.86 PTK2 (0.45) WEE1PTK2CAMK2D
Hydrochloric Acid SCHEMBL29051773 0.85 PTK2 (0.44) WEE1PTK2CAMK2D
SCHEMBL30468400 0.84 PTK2 (0.45) WEE1PTK2CAMK2DPTK2BBTK
Hydrochloric Acid SCHEMBL29051784 0.83 PTK2 (0.44) WEE1PTK2CAMK2DPTK2BBTK
Hydrochloric Acid SCHEMBL29051856 0.83 WEE1 (0.44) ACVR1WEE1PTK2CAMK2DBTK
SCHEMBL30468461 0.82 PTK2 (0.54) ACVR1WEE1PTK2PTK2B
Hydrochloric Acid SCHEMBL29051902 0.82 PTK2 (0.54) WEE1PTK2PTK2B

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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