SCHEMBL22595142

SCHEMBL22595142

COc1nc(N2CCC(N(C)C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)C)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.61
▸ PLK1 P53350 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
SCHEMBL30019496 0.89 EGFR (0.52) EGFR
SCHEMBL22595478 0.89 EGFR (0.52) EGFR
SCHEMBL22595140 0.88 EGFR (0.63) EGFR
SCHEMBL23442740 0.88 EGFR (0.53) EGFRPLK1
SCHEMBL22025588 0.88 EGFR (0.78) EGFR
SCHEMBL22595141 0.88 EGFR (0.79) EGFR
SCHEMBL22595430 0.86 EGFR (0.48) EGFR
SCHEMBL22595153 0.84 EGFR (0.47) EGFRPLK1
SCHEMBL22595805 0.84 EGFR (0.48) EGFR
Trifluoroacetic Acid SCHEMBL28597344 0.83 EGFR (0.71) 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-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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