SCHEMBL29802781

SCHEMBL29802781

Cn1nc2ccc(S)c(Cl)c2c1C#N.[Na]

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.38
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 1/20 0.30

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
SCHEMBL28622442 0.97 PTPN11 (0.38) PTPN11HTTLMNA
SCHEMBL23663596 0.83 PTPN11 (0.38) PTPN11HTTLMNA
SCHEMBL27359783 0.83 PTPN11 (0.39) PTPN11HTTLMNA
SCHEMBL28615843 0.79 PTPN11 (0.38) PTPN11HTTLMNA
SCHEMBL28902124 0.74 PTPN11 (0.34) PTPN11HTTLMNA
SCHEMBL27359779 0.73 PSMB8 (0.46) PTPN11HTTLMNA
SCHEMBL23208916 0.72 PTPN11 (0.34) PTPN11
SCHEMBL27359788 0.70 PDE10A (0.38) LMNA
SCHEMBL27359621 0.68 PDE10A (0.37) LMNA
SCHEMBL27359778 0.67 PSMB8 (0.38) LMNA

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-114981268-A Pyrimidine-4 (3H) -ketone heterocyclic compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-08-30 — — CN disclosed
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