SCHEMBL25001602

SCHEMBL25001602

COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccccc2N(C)SC2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.55
▸ BTK Q06187 1/20 0.46
▸ ALK Q9UM73 2/20 0.42
▸ CDK19 Q9BWU1 1/20 0.42
▸ MET P08581 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ PLK1 P53350 1/20 0.42

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
SCHEMBL25001598 0.89 EGFR (0.55) EGFRBTKALKMETINSR
SCHEMBL25002724 0.85 EGFR (0.52) EGFRBTKALKCDK19MET
SCHEMBL29084096 0.84 EGFR (0.71) EGFRBTKALKCDK19MET
SCHEMBL25001715 0.81 EGFR (0.61) EGFRBTKALKMETINSR
SCHEMBL25001347 0.81 EGFR (0.63) EGFRBTKALKMETINSR
SCHEMBL25820886 0.80 EGFR (0.57) EGFR
SCHEMBL29974926 0.79 EGFR (0.65) EGFRBTKALKINSRIGF1R
SCHEMBL29084036 0.78 EGFR (0.65) EGFRBTKALKMETINSR
SCHEMBL29084045 0.78 EGFR (0.67) EGFRBTKALKINSRIGF1R
SCHEMBL27091519 0.78 EGFR (0.67) EGFRBTKALKINSRIGF1R

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-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP disclosed
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