SCHEMBL24327012

SCHEMBL24327012

CNCCNC1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc5c4N(C(=O)N(C)C)CC5)n3)c(OC)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.61
▸ ALK Q9UM73 10/20 0.56
▸ INSR P06213 6/20 0.56
▸ IGF1R P08069 5/20 0.56
▸ ZAP70 P43403 2/20 0.55
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ AURKA O14965 1/20 0.53
▸ ROS1 P08922 1/20 0.53
▸ EML4 Q9HC35 1/20 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
SCHEMBL24326983 0.93 EGFR (0.63) EGFRALKINSRIGF1RZAP70
SCHEMBL24327482 0.92 EGFR (0.62) EGFRALKINSRIGF1RZAP70
SCHEMBL24328348 0.87 EGFR (0.65) EGFRALKINSRIGF1RZAP70
SCHEMBL24326982 0.87 ALK (0.74) EGFRALKINSRIGF1RZAP70
SCHEMBL24328341 0.86 EGFR (0.67) EGFRALKINSRIGF1RZAP70
SCHEMBL24327472 0.85 EGFR (0.64) EGFRALKINSRIGF1RZAP70
SCHEMBL24327331 0.84 EGFR (0.62) EGFRALKINSRIGF1RZAP70
SCHEMBL24327355 0.84 EGFR (0.62) EGFRALKINSRIGF1RZAP70
SCHEMBL24327578 0.84 EGFR (0.62) EGFRALKINSRIGF1RZAP70
SCHEMBL24327466 0.83 EGFR (0.65) EGFRALKINSRIGF1RZAP70

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-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 — — WO disclosed
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