SCHEMBL25002690

SCHEMBL25002690

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2N(C)[S+](C)[O-])CC3)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.57
▸ PLK1 P53350 1/20 0.45
▸ BTK Q06187 1/20 0.43
▸ INSR P06213 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ ALK Q9UM73 1/20 0.42

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
SCHEMBL25002853 0.90 EGFR (0.47) EGFRBTKALK
SCHEMBL25002442 0.90 EGFR (0.54) EGFRBTKINSRALK
SCHEMBL25001448 0.89 EGFR (0.58) EGFRPLK1BTKINSRIGF1R
SCHEMBL25001715 0.86 EGFR (0.61) EGFRPLK1BTKINSRIGF1R
SCHEMBL29084096 0.84 EGFR (0.71) EGFRPLK1BTKINSRIGF1R
SCHEMBL25001656 0.83 EGFR (0.48) EGFRBTKINSRALK
SCHEMBL30860746 0.82 EGFR (0.54) EGFRPLK1BTK
SCHEMBL25001450 0.82 EGFR (0.46) EGFRPLK1INSRIGF1RALK
SCHEMBL30860273 0.82 EGFR (0.53) EGFRBTK
SCHEMBL30860759 0.81 EGFR (0.56) EGFRBTK

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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