SCHEMBL31197000

SCHEMBL31197000

COc1cccc(C(=O)Nc2cc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)c(OC)cc2N2CCC(N3CCN(C)CC3)CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.74
▸ INSR P06213 10/20 0.74
▸ IGF1R P08069 10/20 0.74
▸ EGFR P00533 9/20 0.70
▸ CHEK1 O14757 1/20 0.69
▸ AURKA O14965 1/20 0.69
▸ NUAK1 O60285 1/20 0.69
▸ JAK2 O60674 1/20 0.69
▸ STK10 O94804 1/20 0.69
▸ PRKD3 O94806 1/20 0.69
▸ SLC34A2 O95436 1/20 0.69
▸ CHEK2 O96017 1/20 0.69
▸ ABL1 P00519 1/20 0.69
▸ CD74 P04233 1/20 0.69
▸ ERBB2 P04626 1/20 0.69
▸ LCK P06239 1/20 0.69
▸ FYN P06241 1/20 0.69
▸ FES P07332 1/20 0.69
▸ CSF1R P07333 1/20 0.69
▸ YES1 P07947 1/20 0.69

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
SCHEMBL31197001 0.94 ALK (0.75) ALKINSRIGF1REGFRCHEK1
SCHEMBL31197002 0.94 ALK (0.75) ALKINSRIGF1REGFRCHEK1
SCHEMBL31196990 0.94 ALK (0.79) ALKINSRIGF1REGFRCHEK1
SCHEMBL31196989 0.94 ALK (0.77) ALKINSRIGF1REGFRCHEK1
SCHEMBL31197036 0.94 ALK (0.76) ALKINSRIGF1REGFRCHEK1
SCHEMBL31197006 0.92 ALK (0.77) ALKINSRIGF1REGFRCHEK1
SCHEMBL31196987 0.91 ALK (0.78) ALKINSRIGF1REGFRCHEK1
SCHEMBL31196982 0.91 ALK (0.71) ALKINSRIGF1REGFRCHEK1
SCHEMBL31196959 0.91 ALK (0.79) ALKINSRIGF1REGFRCHEK1
SCHEMBL31196977 0.90 ALK (0.81) ALKINSRIGF1REGFRCHEK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143806-B Dimethyl phosphine oxide substituted aniline pyrimidine derivative targeting EGFR mutation, preparation method and application thereof, and medicine prepared from dimethyl phosphine oxide substituted aniline pyrimidine derivative 四川大学华西医院 2025-03-11 — — CN disclosed
CN-119143806-A Dimethyl phosphine oxide substituted aniline pyrimidine derivative targeting EGFR mutation, preparation method and application thereof, and medicine prepared from dimethyl phosphine oxide substituted aniline pyrimidine derivative 四川大学华西医院 2024-12-17 — — CN disclosed
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