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Sugi Predict / Compounds / SCHEMBL19860194

SCHEMBL19860194

SCHEMBL19860194

C=CC(=O)Nc1cc(Nc2nc(-c3cnn(C)c3)c3ccn(C)c3n2)c(OC)cc1N1CCN(C)CC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.77
▸ IGF1R P08069 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56

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
SCHEMBL17467215 0.92 EGFR (0.73) EGFRIGF1RKCNH2
SCHEMBL17467217 0.87 EGFR (1.00) EGFRIGF1RKCNH2
SCHEMBL17467233 0.87 EGFR (0.67) EGFRIGF1RKCNH2
SCHEMBL17059182 0.84 EGFR (1.00) EGFRIGF1RKCNH2
SCHEMBL17466971 0.83 EGFR (0.70) EGFR
SCHEMBL17467229 0.83 EGFR (0.79) EGFR
SCHEMBL17467225 0.81 EGFR (0.74) EGFRIGF1RKCNH2
SCHEMBL19860188 0.81 EGFR (0.76) EGFRIGF1RKCNH2
SCHEMBL17466973 0.79 EGFR (0.64) EGFR
SCHEMBL17059219 0.79 EGFR (0.84) EGFRIGF1RKCNH2

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
US-9890168-B2 2,4-disubstituted 7H-pyrrolo[2,3-d]pyrimidine derivative, preparation method and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-02-13 — — US disclosed
US-9890168-B2 2,4-disubstituted 7H-pyrrolo[2,3-d]pyrimidine derivative, preparation method and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-02-13 — — US disclosed