SCHEMBL21558030

SCHEMBL21558030

C=CC(=O)Nc1cc(N)c(OC)cc1C#CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.39
▸ AAK1 Q2M2I8 2/20 0.37
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ TGM1 P22735 1/20 0.33
▸ FGFR4 P22455 5/20 0.31
▸ MAPK3 P27361 2/20 0.31
▸ HTR4 Q13639 2/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30

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
SCHEMBL21558029 0.80 EGFR (0.37) EGFRTGM2FGFR4
SCHEMBL15600880 0.72 EGFR (0.65) EGFRMAPK3
SCHEMBL28579321 0.70 MAPT (0.47) EGFRTGM2FGFR4MAPK3
SCHEMBL30344144 0.69 KDM4E (0.33) AAK1HTR4
SCHEMBL25155888 0.69 KDM4E (0.33) AAK1HTR4
SCHEMBL15345353 0.68 TGM2 (0.44) EGFRTGM2MAPK3
SCHEMBL21557748 0.67 TGM2 (0.41) EGFRTGM2FGFR4MAPK3
SCHEMBL24429190 0.67 TGM2 (0.41) TGM2FGFR4MAPK3
SCHEMBL17059206 0.67 EGFR (0.57) EGFR
SCHEMBL19221937 0.67 EGFR (0.49) EGFRFGFR4

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-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 — — EP disclosed
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