SCHEMBL23154348

SCHEMBL23154348

CCc1cc(Nc2ncc(Br)c(Nc3ccc(-c4cnn(C)n4)c(F)c3P(C)C)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.61
▸ INSR P06213 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ ALK Q9UM73 1/20 0.46

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
SCHEMBL23153897 0.90 EGFR (0.71) EGFR
SCHEMBL23154193 0.87 EGFR (0.62) EGFR
SCHEMBL22025902 0.83 EGFR (0.81) EGFR
SCHEMBL23154097 0.83 EGFR (0.69) EGFRINSRIGF1RALK
SCHEMBL22804205 0.83 EGFR (0.73) EGFRINSRIGF1RALK
SCHEMBL23759753 0.82 EGFR (0.66) EGFR
SCHEMBL28531005 0.82 EGFR (0.69) EGFRINSRIGF1RALK
SCHEMBL23153765 0.81 EGFR (0.63) EGFRINSRIGF1RALK
SCHEMBL24179126 0.81 EGFR (0.68) EGFRINSRIGF1RALK
SCHEMBL23154142 0.81 EGFR (0.63) 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
WO-2021057882-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-04-01 — — WO disclosed
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