SCHEMBL30468427

SCHEMBL30468427

CCS(=O)(=O)Nc1nccnc1CNc1nc(Nc2ccc3c(c2)CCNC3)ncc1F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.45
▸ WEE1 P30291 9/20 0.44
▸ AXL P30530 8/20 0.44
▸ TYRO3 Q06418 8/20 0.44
▸ MERTK Q12866 8/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ PKMYT1 Q99640 4/20 0.42
▸ CAMK2D Q13557 1/20 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
Hydrochloric Acid SCHEMBL29051773 0.99 PTK2 (0.44) PTK2WEE1AXLTYRO3MERTK
Hydrochloric Acid SCHEMBL29051704 0.92 CSF1R (0.45) PTK2WEE1AXLTYRO3MERTK
SCHEMBL30468504 0.91 STK17A (0.45) PTK2WEE1AXLTYRO3MERTK
Hydrochloric Acid SCHEMBL29051920 0.90 STK17A (0.44) PTK2WEE1AXLTYRO3MERTK
SCHEMBL30468400 0.88 PTK2 (0.45) PTK2WEE1AXLTYRO3MERTK
Hydrochloric Acid SCHEMBL29051784 0.88 PTK2 (0.44) PTK2WEE1AXLTYRO3MERTK
SCHEMBL30468428 0.86 ACVR1 (0.42) PTK2WEE1CAMK2D
Hydrochloric Acid SCHEMBL29051869 0.85 ACVR1 (0.42) PTK2WEE1CAMK2D
SCHEMBL29051707 0.83 PTK2 (0.46) PTK2WEE1AXLTYRO3MERTK
Hydrochloric Acid SCHEMBL29051788 0.82 BTK (0.45) PTK2WEE1AXLTYRO3MERTK

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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