Sugi Predict

Sugi Predict / Compounds / SCHEMBL6239978

SCHEMBL6239978

SCHEMBL6239978

O=S(=O)(c1cccs1)n1ccc2cc(Nc3ncnc4cc(C#CN5CCCC5)sc34)ccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.47
▸ ERBB2 P04626 12/20 0.47
▸ FLT1 P17948 1/20 0.38
▸ ERBB4 Q15303 2/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MKNK1 Q9BUB5 6/20 0.37

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
SCHEMBL6236088 0.88 PIP4K2A (0.40) EGFRERBB2ERBB4JAK3MKNK1
Hydrochloric Acid SCHEMBL6825273 0.83 EGFR (0.43) EGFRERBB2FLT1ERBB4
SCHEMBL6234112 0.82 ALDH1A1 (0.41) EGFRERBB2FLT1MKNK1
SCHEMBL6238337 0.77 EGFR (0.81) EGFRERBB2
Hydrochloric Acid SCHEMBL6239291 0.76 EGFR (0.80) EGFRERBB2
Hydrochloric Acid SCHEMBL6239294 0.76 EGFR (0.80) EGFRERBB2
SCHEMBL6235814 0.71 EGFR (0.49) EGFR
SCHEMBL6236350 0.71 FLT1 (0.49) EGFRERBB2FLT1
Formic Acid SCHEMBL6826685 0.71 EGFR (0.45) EGFRERBB2ERBB4JAK3MKNK1
SCHEMBL7117805 0.70 FLT1 (0.58) EGFRERBB2FLT1ERBB4JAK3

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
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 — — WO claimed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 — — WO disclosed