SCHEMBL25002404

SCHEMBL25002404

COc1cc(N2CCN(CCF)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2P(C)C)CC3)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.49
▸ BTK Q06187 1/20 0.45
▸ MAP4K1 Q92918 1/20 0.42
▸ ALK Q9UM73 2/20 0.40
▸ CDK19 Q9BWU1 1/20 0.40
▸ IGF1R P08069 2/20 0.39
▸ TTK P33981 1/20 0.38

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
SCHEMBL25001983 0.89 EGFR (0.57) EGFRBTKMAP4K1ALKCDK19
SCHEMBL25001574 0.89 EGFR (0.60) EGFRBTKMAP4K1
SCHEMBL25002034 0.85 EGFR (0.46) EGFRBTKMAP4K1ALKCDK19
SCHEMBL25002992 0.81 EGFR (0.44) EGFRMAP4K1ALK
SCHEMBL25820665 0.79 EGFR (0.62) EGFR
SCHEMBL25002650 0.79 EGFR (0.46) EGFR
SCHEMBL27091342 0.78 EGFR (0.53) EGFR
SCHEMBL29785226 0.78 EGFR (0.53) EGFR
SCHEMBL25001789 0.77 EGFR (0.69) EGFRBTKMAP4K1ALKIGF1R
SCHEMBL25001456 0.77 EGFR (0.49) EGFR

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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