SCHEMBL29505980

SCHEMBL29505980

COC(=O)CCSc1ccnc2[nH]cc(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.39
▸ GSTP1 P09211 1/20 0.39
▸ GSTM2 P28161 1/20 0.39
▸ JAK3 P52333 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PRNP P04156 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ LIMK1 P53667 5/20 0.35
▸ CXCR1 P25024 1/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNA1 P78396 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
SCHEMBL21856012 1.00 JAK2 (0.39) JAK2GSTP1GSTM2JAK3KMT2A
SCHEMBL29506066 0.77 GSTP1 (0.46) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL22493827 0.77 NUDT1 (0.47) JAK2GSTP1GSTM2JAK3KMT2A
SCHEMBL21855872 0.77 GSTP1 (0.46) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL21855732 0.76 GSTP1 (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29506065 0.76 GSTP1 (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL18320486 0.74 KMT2A (0.44) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL21852192 0.74 GSTP1 (0.42) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29603922 0.74 KMT2A (0.44) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL22440531 0.73 KMT2A (0.42) GSTP1GSTM2KMT2APRNPPOLB

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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