SCHEMBL22302407

SCHEMBL22302407

COC(=O)CCSc1ccnc(N2CCOCC2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GSTP1 P09211 1/20 0.38
▸ GSTM2 P28161 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18319891 0.90 KMT2A (0.39) THRBTSHRL3MBTL1GSTP1GSTM2
SCHEMBL29187790 0.86 HPGD (0.42) THRBL3MBTL1MAPK1HPGDNAMPT
SCHEMBL22493634 0.86 PTPN11 (0.37) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL24034328 0.86 THRB (0.43) THRBTSHRL3MBTL1MAPK1GSTP1
SCHEMBL23901946 0.81 TSHR (0.41) THRBTSHRL3MBTL1MAPK1HPGD
SCHEMBL23901922 0.81 THRB (0.38) THRBTSHRL3MBTL1HPGDKMT2A
SCHEMBL19785529 0.80 KMT2A (0.35) THRBL3MBTL1MAPK1GSTP1GSTM2
SCHEMBL29506060 0.77 KMT2A (0.45) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL18319841 0.77 KMT2A (0.45) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL19785381 0.77 GRM4 (0.40) 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-118206550-A SHP2 inhibitor and application thereof 江苏威凯尔医药科技有限公司 2024-06-18 — — CN disclosed
WO-2020156243-A1 SHP2 INHIBITOR AND APPLICATION THEREOF 贝达药业股份有限公司 2020-08-06 — — WO disclosed
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