SCHEMBL21558029

SCHEMBL21558029

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.37
▸ FGFR4 P22455 9/20 0.35
▸ PSMB11 A5LHX3 1/20 0.35
▸ PSMA7 O14818 1/20 0.35
▸ PSMB1 P20618 1/20 0.35
▸ PSMA1 P25786 1/20 0.35
▸ PSMA2 P25787 1/20 0.35
▸ PSMA3 P25788 1/20 0.35
▸ PSMA4 P25789 1/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PSMB9 P28065 1/20 0.35
▸ PSMA5 P28066 1/20 0.35
▸ PSMB4 P28070 1/20 0.35
▸ PSMB6 P28072 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ PSMB10 P40306 1/20 0.35
▸ PSMB3 P49720 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ PSMA6 P60900 1/20 0.35
▸ PSMA8 Q8TAA3 1/20 0.35

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
SCHEMBL21558030 0.80 EGFR (0.39) EGFRFGFR4TGM2
SCHEMBL28579321 0.78 MAPT (0.47) EGFRFGFR4PSMB11PSMA7PSMB1
SCHEMBL24429190 0.77 TGM2 (0.41) FGFR4PSMB11PSMA7PSMB1PSMA1
SCHEMBL15345353 0.76 TGM2 (0.44) EGFRPSMB11PSMA7PSMB1PSMA1
SCHEMBL21557748 0.75 TGM2 (0.41) EGFRFGFR4PSMB11PSMA7PSMB1
SCHEMBL15345350 0.73 TGM2 (0.42) FGFR4PSMB11PSMA7PSMB1PSMA1
SCHEMBL17196860 0.73 EGFR (0.51) EGFR
SCHEMBL19732109 0.71 EGFR (0.40) EGFRFGFR4BTKGAKFGFR1
SCHEMBL17059206 0.70 EGFR (0.57) EGFR
SCHEMBL19221937 0.70 EGFR (0.49) EGFRFGFR4FGFR1

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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