SCHEMBL29173232

SCHEMBL29173232

CCc1cc(Nc2ncc(Br)c(Nc3cccc(OC)c3N(C)[SH](=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.66
▸ INSR P06213 3/20 0.51
▸ IGF1R P08069 3/20 0.51
▸ ALK Q9UM73 3/20 0.51

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
SCHEMBL29173209 0.92 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL27076059 0.91 EGFR (0.66) EGFRINSRIGF1RALK
SCHEMBL29173191 0.88 EGFR (0.70) EGFR
SCHEMBL27076089 0.86 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL29083961 0.84 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL26383290 0.83 EGFR (0.79) EGFR
SCHEMBL26398268 0.82 EGFR (0.77) EGFR
SCHEMBL26398578 0.82 EGFR (0.77) EGFR
SCHEMBL27076073 0.82 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL26395299 0.82 EGFR (0.76) 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
CN-117203199-A N2-phenylpyrimidine-2, 4-diamine compounds, methods of making and using the same 毕利吉生物科技股份有限公司 2023-12-08 — — CN disclosed
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