Sugi Predict

Sugi Predict / Compounds / SCHEMBL29429976

SCHEMBL29429976

SCHEMBL29429976

CSc1nc(-c2cccc(NC(=O)c3ccccc3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)n1COCC[Si](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.51
▸ MAPK14 Q16539 19/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41

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
SCHEMBL26965255 1.00 EGFR (0.51) EGFRMAPK14MAPK10MAPK13MAPK12
SCHEMBL26965267 0.92 EGFR (0.57) EGFRMAPK14MAPK10MAPK13MAPK12
SCHEMBL29429900 0.92 EGFR (0.57) EGFRMAPK14MAPK10MAPK13MAPK12
SCHEMBL26965253 0.92 EGFR (0.41) EGFRMAPK14MAPK10MAPK13MAPK12
SCHEMBL29429922 0.92 EGFR (0.41) EGFRMAPK14MAPK10MAPK13MAPK12
SCHEMBL29429863 0.91 EGFR (0.52) EGFRMAPK14MAPK10MAPK13MAPK12
SCHEMBL26965206 0.91 EGFR (0.52) EGFRMAPK14MAPK10MAPK13MAPK12
SCHEMBL29429961 0.91 EGFR (0.48) EGFRMAPK14MAPK10MAPK13MAPK12
SCHEMBL26965152 0.91 EGFR (0.48) EGFRMAPK14MAPK10MAPK13MAPK12
SCHEMBL29429916 0.84 EGFR (0.58) EGFRMAPK14MAPK10MAPK13MAPK12

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
WO-2022067063-A1 MUTANT SELECTIVE EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-03-31 — — WO disclosed