SCHEMBL30468504

SCHEMBL30468504

CCS(=O)(=O)Nc1nccnc1CNc1nc(Nc2ccc3c(c2)CCNC3)ncc1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 1/20 0.45
▸ BTK Q06187 2/20 0.44
▸ AXL P30530 9/20 0.43
▸ TYRO3 Q06418 9/20 0.43
▸ MERTK Q12866 9/20 0.43
▸ PTK2 Q05397 2/20 0.43
▸ CAMK2D Q13557 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ WEE1 P30291 4/20 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
Hydrochloric Acid SCHEMBL29051920 0.99 STK17A (0.44) STK17ABTKAXLTYRO3MERTK
SCHEMBL30468427 0.91 PTK2 (0.45) AXLTYRO3MERTKPTK2CAMK2D
Hydrochloric Acid SCHEMBL29051773 0.90 PTK2 (0.44) AXLTYRO3MERTKPTK2CAMK2D
SCHEMBL30468400 0.89 PTK2 (0.45) BTKAXLTYRO3MERTKPTK2
SCHEMBL30468412 0.89 PTK2 (0.47) STK17ABTKAXLTYRO3MERTK
Hydrochloric Acid SCHEMBL29051784 0.88 PTK2 (0.44) BTKAXLTYRO3MERTKPTK2
Hydrochloric Acid SCHEMBL29051792 0.88 PTK2 (0.47) STK17ABTKAXLTYRO3MERTK
SCHEMBL30468428 0.87 ACVR1 (0.42) BTKPTK2CAMK2DWEE1
Hydrochloric Acid SCHEMBL29051869 0.86 ACVR1 (0.42) BTKPTK2CAMK2DWEE1
SCHEMBL30468423 0.84 PTK2 (0.54) PTK2WEE1

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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