SCHEMBL25001450

SCHEMBL25001450

CN/C=C(\C=N)c1cc(Nc2ncc(Br)c(Nc3cc4c(cc3N(C)[S+](C)[O-])CC4)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.46
▸ PLK1 P53350 1/20 0.41
▸ INSR P06213 3/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ ALK Q9UM73 3/20 0.40

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
SCHEMBL25002690 0.82 EGFR (0.57) EGFRPLK1INSRIGF1RALK
SCHEMBL25001848 0.76 EGFR (0.46) EGFRINSRIGF1RALK
SCHEMBL25002391 0.76 ULK1 (0.48) EGFRINSRIGF1RALK
SCHEMBL25002992 0.75 EGFR (0.44) EGFRPLK1ALK
SCHEMBL25002999 0.74 EGFR (0.68) EGFR
SCHEMBL25002766 0.74 EGFR (0.54) EGFR
SCHEMBL23154092 0.74 EGFR (0.67) EGFRINSRIGF1RALK
SCHEMBL25001851 0.73 EGFR (0.40) EGFRPLK1ALK
SCHEMBL25001804 0.73 EGFR (0.41) EGFR
SCHEMBL25002853 0.72 EGFR (0.47) EGFRALK

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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