SCHEMBL30741194

SCHEMBL30741194

CP(C)(=O)c1cc(-c2ccccc2F)ccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.39
▸ ZAP70 P43403 1/20 0.37
▸ IGF1R P08069 3/20 0.37
▸ INSR P06213 2/20 0.36
▸ ALK Q9UM73 2/20 0.36
▸ PTK2 Q05397 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ TRPA1 O75762 1/20 0.33

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
SCHEMBL23153854 1.00 EGFR (0.39) EGFRZAP70IGF1RINSRALK
SCHEMBL27162682 0.90 ALK (0.46) EGFRIGF1RINSRALKPTK2
SCHEMBL30741156 0.90 ALK (0.46) EGFRIGF1RINSRALKPTK2
SCHEMBL23154083 0.89 ZAP70 (0.40) EGFRZAP70IGF1RINSRALK
SCHEMBL23153853 0.89 EGFR (0.40) EGFRIGF1RINSRALKPTK2
SCHEMBL23153875 0.86 EGFR (0.42) EGFRZAP70IGF1RINSRALK
SCHEMBL29975976 0.86 EGFR (0.42) EGFRZAP70IGF1RINSRALK
SCHEMBL23154196 0.85 EGFR (0.38) EGFRIGF1RINSRALKMEN1
SCHEMBL23153751 0.84 EGFR (0.38) EGFRZAP70IGF1RINSRALK
SCHEMBL23153748 0.83 EGFR (0.41) EGFRIGF1RINSRALKPTK2

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-117425646-A Phosphono derivative, composition thereof and pharmaceutical application thereof 西藏海思科制药有限公司 2024-01-19 — — CN disclosed
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