SCHEMBL23937758

SCHEMBL23937758

Cc1nc(S(C)(=N)=O)n2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.47
▸ PTPN2 P17706 1/20 0.47
▸ KMT2A Q03164 3/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.35
▸ BAZ2A Q9UIF9 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL20674637 0.83 BAZ2B (0.37) PTPN1PTPN2KMT2ABRD9BAZ2B
SCHEMBL8234959 0.71 PTPN1 (0.60) PTPN1PTPN2KMT2AMAPK1SSTR4
SCHEMBL20674162 0.70 BAZ2B (0.37) PTPN1PTPN2KMT2ABRD9BAZ2B
SCHEMBL20674631 0.69 BAZ2B (0.41) PTPN1PTPN2KMT2ABRD9BAZ2B
SCHEMBL20674504 0.68 PTPN1 (0.56) PTPN1PTPN2KMT2AMAPK1SSTR4
SCHEMBL31452714 0.68 PTPN1 (0.56) PTPN1PTPN2KMT2ASSTR4PDE10A
SCHEMBL19100165 0.68 PTPN1 (0.56) PTPN1PTPN2KMT2AMAPK1SSTR4
SCHEMBL29805590 0.68 PTPN1 (0.51) PTPN1PTPN2KMT2AMAPK1SSTR4
SCHEMBL13325875 0.67 PTPN1 (0.55) PTPN1PTPN2KMT2AMAPK1PDE10A
SCHEMBL24656575 0.67 PTPN1 (0.50) PTPN1PTPN2KMT2ASSTR4PDE10A

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
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 — — EP disclosed
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