SCHEMBL29506077

SCHEMBL29506077

COC(=O)CCSc1c(F)cnc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 2/20 0.44
▸ CXCR2 P25025 2/20 0.44
▸ JAK3 P52333 6/20 0.40
▸ JAK2 O60674 6/20 0.40
▸ JAK1 P23458 5/20 0.40
▸ TYK2 P29597 3/20 0.40
▸ NUDT1 P36639 2/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ MET P08581 1/20 0.37
▸ CIT O14578 3/20 0.35
▸ SYK P43405 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34

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
SCHEMBL21855875 1.00 CXCR1 (0.44) CXCR1CXCR2JAK3JAK2JAK1
SCHEMBL22493648 0.85 JAK2 (0.40) CXCR1CXCR2JAK3JAK2JAK1
SCHEMBL22493827 0.79 NUDT1 (0.47) CXCR1CXCR2JAK3JAK2JAK1
SCHEMBL1953766 0.71 TTBK1 (0.43) JAK3JAK2JAK1TYK2NUDT1
SCHEMBL23663615 0.68 NUDT1 (0.56) JAK3JAK2JAK1TYK2NUDT1
SCHEMBL21855845 0.68 GLA (0.39) JAK3JAK2JAK1TYK2NOTUM
SCHEMBL31280881 0.68 NUDT1 (0.56) JAK3JAK2JAK1TYK2NUDT1
SCHEMBL29505977 0.68 GLA (0.39) JAK3JAK2JAK1TYK2NOTUM
SCHEMBL16548436 0.67 PRKCI (0.53) JAK3JAK2JAK1NUDT1MET
SCHEMBL31541413 0.67 JAK3 (0.43) JAK3JAK2JAK1NUDT1MET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341124-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-09-20 — — CN disclosed
CN-114341124-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2022-04-12 — — CN disclosed
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