SCHEMBL23442001

SCHEMBL23442001

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cnc3ccccc3c2P(C)(C)=O)n1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.69
▸ BTK Q06187 1/20 0.54
▸ INSR P06213 2/20 0.53
▸ IGF1R P08069 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
SCHEMBL23442858 0.98 EGFR (0.66) EGFRBTKINSRIGF1RALK
SCHEMBL23421131 0.94 EGFR (0.61) EGFRBTK
Hydrochloric Acid SCHEMBL31155488 0.93 EGFR (0.60) EGFRBTK
SCHEMBL23442894 0.92 EGFR (0.62) EGFRBTK
SCHEMBL23442604 0.92 EGFR (0.59) EGFRINSRIGF1RALK
SCHEMBL31155405 0.91 EGFR (0.58) EGFRBTK
SCHEMBL23441751 0.91 EGFR (0.59) EGFRINSRIGF1RALK
SCHEMBL23441958 0.91 EGFR (0.59) EGFRINSRIGF1RALK
SCHEMBL23441730 0.90 EGFR (0.60) EGFRINSRIGF1RALK
SCHEMBL23441970 0.90 EGFR (0.60) EGFRINSRIGF1RALK

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
CN-114728932-A Polyarylates as EGFR kinase inhibitors 江苏先声药业有限公司 2022-07-08 — — CN disclosed
WO-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 — — WO disclosed
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