SCHEMBL22596074

SCHEMBL22596074

CCc1cc(Nc2ncc(OC)c(Nc3cnc4ccccc4c3P(C)C)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.58
▸ INSR P06213 5/20 0.52
▸ IGF1R P08069 5/20 0.52
▸ ALK Q9UM73 5/20 0.52

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
SCHEMBL22595469 0.94 EGFR (0.63) EGFRINSRIGF1RALK
SCHEMBL22595520 0.92 EGFR (0.67) EGFRINSRIGF1RALK
SCHEMBL22595968 0.89 EGFR (0.66) EGFRINSRIGF1RALK
SCHEMBL22595182 0.87 EGFR (0.62) EGFRINSRIGF1RALK
SCHEMBL30018850 0.87 EGFR (0.62) EGFRINSRIGF1RALK
SCHEMBL22595132 0.85 EGFR (0.63) EGFRINSRIGF1RALK
SCHEMBL22596305 0.85 EGFR (0.73) EGFR
Trifluoroacetic Acid SCHEMBL22587641 0.84 EGFR (0.60) EGFRINSRIGF1RALK
SCHEMBL22595360 0.83 EGFR (0.75) EGFRINSRIGF1RALK
SCHEMBL22595477 0.83 EGFR (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 — — WO disclosed
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