SCHEMBL25001861

SCHEMBL25001861

CN/C=C(\C=N)c1cc(Nc2ncc(Br)c(Nc3ccccc3P(C)(C)=O)n2)c(OC)cc1N1CCC2(CCN(CCF)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.55
▸ EGFR P00533 6/20 0.51
▸ INSR P06213 3/20 0.46
▸ IGF1R P08069 3/20 0.46
▸ MAP4K1 Q92918 3/20 0.43
▸ BTK Q06187 1/20 0.43

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
SCHEMBL25001811 0.89 EGFR (0.54) EGFR
SCHEMBL25002091 0.88 EGFR (0.56) EGFR
SCHEMBL25001703 0.82 EGFR (0.66) ALKEGFRINSRIGF1RMAP4K1
SCHEMBL25002938 0.82 EGFR (0.59) EGFR
SCHEMBL25002710 0.81 EGFR (0.56) EGFR
SCHEMBL25002718 0.79 EGFR (0.57) EGFR
SCHEMBL25001839 0.78 EGFR (0.45) EGFR
SCHEMBL25002992 0.78 EGFR (0.44) ALKEGFRMAP4K1
SCHEMBL25002391 0.78 ULK1 (0.48) ALKEGFRINSRIGF1RMAP4K1
SCHEMBL25001809 0.77 EGFR (0.52) 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
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP disclosed
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