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Sugi Predict / Compounds / SCHEMBL19254057

SCHEMBL19254057

SCHEMBL19254057

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-n3ncc4cc(OCCN(C)CCN(C)c5cc(OC)c(Nc6nccc(-n7ncc8cc(OC)ccc87)n6)cc5NC(=O)C=C)ccc43)n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.56
▸ IGF1R P08069 2/20 0.55
▸ KCNH2 Q12809 2/20 0.55
▸ INSR P06213 1/20 0.55
▸ EML4 Q9HC35 2/20 0.53
▸ ALK Q9UM73 2/20 0.53

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
SCHEMBL17683151 0.91 EGFR (0.64) EGFRIGF1RKCNH2INSREML4
SCHEMBL17683218 0.89 EGFR (0.65) EGFR
SCHEMBL17683383 0.87 EGFR (0.61) EGFR
SCHEMBL17683285 0.86 EGFR (0.62) EGFR
SCHEMBL19532476 0.84 EGFR (0.61) EGFRIGF1RKCNH2INSR
SCHEMBL17683141 0.84 EGFR (0.66) EGFR
SCHEMBL17683360 0.83 EGFR (0.67) EGFRKCNH2
SCHEMBL17683121 0.83 EGFR (0.63) EGFRIGF1RKCNH2INSREML4
SCHEMBL20869981 0.82 EGFR (0.67) EGFRKCNH2INSREML4ALK
SCHEMBL17683119 0.82 EGFR (0.62) EGFRIGF1RKCNH2INSR

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
EP-3205650-B1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2021-08-04 — — EP disclosed
EP-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 — — EP disclosed