SCHEMBL30468400

SCHEMBL30468400

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ BTK Q06187 3/20 0.42
▸ WEE1 P30291 8/20 0.41
▸ PKMYT1 Q99640 3/20 0.41
▸ AXL P30530 4/20 0.40
▸ TYRO3 Q06418 4/20 0.40
▸ MERTK Q12866 4/20 0.40
▸ CAMK2D Q13557 1/20 0.40
▸ PRKCQ Q04759 1/20 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 SCHEMBL29051784 0.99 PTK2 (0.44) PTK2PTK2BBTKWEE1PKMYT1
Hydrochloric Acid SCHEMBL29051821 0.92 PTK2 (0.45) PTK2PTK2BBTKWEE1PKMYT1
SCHEMBL30468504 0.89 STK17A (0.45) PTK2BTKWEE1AXLTYRO3
SCHEMBL30468427 0.88 PTK2 (0.45) PTK2WEE1PKMYT1AXLTYRO3
Hydrochloric Acid SCHEMBL29051920 0.88 STK17A (0.44) PTK2BTKWEE1AXLTYRO3
Hydrochloric Acid SCHEMBL29051773 0.88 PTK2 (0.44) PTK2WEE1PKMYT1AXLTYRO3
SCHEMBL29051823 0.84 PTK2 (0.49) PTK2PTK2BBTKWEE1
SCHEMBL30468428 0.84 ACVR1 (0.42) PTK2PTK2BBTKWEE1CAMK2D
Hydrochloric Acid SCHEMBL29051869 0.83 ACVR1 (0.42) PTK2PTK2BBTKWEE1CAMK2D
Hydrochloric Acid SCHEMBL29051788 0.80 BTK (0.45) PTK2BTKWEE1AXLTYRO3

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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