SCHEMBL29208769

SCHEMBL29208769

CNC(=O)c1ccccc1Nc1nc(Nc2cc(-c3cnn(C)c3)c(C3CNCCO3)cc2OC)ncc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.56
▸ ALK Q9UM73 7/20 0.46
▸ EGFR P00533 6/20 0.46
▸ PTK2 Q05397 4/20 0.46
▸ MET P08581 3/20 0.46
▸ BTK Q06187 2/20 0.46
▸ CDC7 O00311 2/20 0.46
▸ DAPK3 O43293 2/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ PRKD3 O94806 2/20 0.46
▸ PAK4 O96013 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ SYK P43405 2/20 0.46
▸ CLK2 P49760 2/20 0.46
▸ CDK7 P50613 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ CAMK2D Q13557 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ MELK Q14680 2/20 0.46
▸ MINK1 Q8N4C8 2/20 0.46

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
SCHEMBL25303779 0.89 EGFR (0.58) ALKEGFRBTKINSRIGF1R
SCHEMBL29208829 0.87 ALK (0.61) ALKINSR
SCHEMBL29208841 0.86 EGFR (0.54) ULK1ALKEGFRBTKCDK19
SCHEMBL25296774 0.84 MAP4K1 (0.51) ALKEGFRBTKMAP4K1CDK19
SCHEMBL29208869 0.83 EGFR (0.44) EGFRBTKMAP4K1
SCHEMBL25001766 0.83 ULK1 (0.70) ULK1ALKEGFRPTK2MET
SCHEMBL29208821 0.83 EGFR (0.47) ALKEGFRBTK
SCHEMBL29208809 0.82 EGFR (0.53) EGFR
SCHEMBL25296645 0.80 EGFR (0.41) ALKEGFRBTKINSRMAP4K1
SCHEMBL29208831 0.77 EGFR (0.53) ALKEGFRPTK2BTKINSR

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-112538072-B Aminopyrimidine EGFR inhibitors 齐鲁制药有限公司 2024-02-06 — — CN disclosed
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