SCHEMBL13646434

SCHEMBL13646434

[2H]C([2H])([2H])OC([2H])([2H])COc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cc1OCC([2H])([2H])OC([2H])([2H])[2H]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.68
▸ ABCG2 Q9UNQ0 3/20 0.68
▸ ERBB2 P04626 2/20 0.55
▸ FLT1 P17948 2/20 0.55
▸ KDR P35968 2/20 0.55
▸ PLK4 O00444 1/20 0.55
▸ CIT O14578 1/20 0.55
▸ AURKA O14965 1/20 0.55
▸ GAK O14976 1/20 0.55
▸ EPHB6 O15197 1/20 0.55
▸ SLC22A1 O15245 1/20 0.55
▸ DAPK3 O43293 1/20 0.55
▸ RIPK2 O43353 1/20 0.55
▸ BUB1 O43683 1/20 0.55
▸ KDM1A O60341 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ RPS6KA4 O75676 1/20 0.55
▸ STK17B O94768 1/20 0.55
▸ STK10 O94804 1/20 0.55
▸ SLCO2B1 O94956 1/20 0.55

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
SCHEMBL13646432 0.85 EGFR (0.75) EGFRABCG2ERBB2FLT1KDR
SCHEMBL13646431 0.85 FBP1 (0.70) EGFRABCG2ERBB2FLT1KDR
SCHEMBL8594529 0.84 EGFR (0.79) EGFRABCG2ERBB2ERBB4FBP1
Erlotinib SCHEMBL13087124 0.83 EGFR (0.78) EGFRABCG2ERBB2FLT1KDR
SCHEMBL28643875 0.82 EGFR (0.82) EGFRABCG2FLT1KDRABL1
SCHEMBL2100607 0.81 EGFR (1.00) EGFRABCG2ERBB2FLT1KDR
SCHEMBL13646435 0.80 FBP1 (0.71) EGFRERBB2KDRAURKAPDGFRB
SCHEMBL13646428 0.78 EGFR (0.70) EGFRABCG2ERBB2FLT1KDR
SCHEMBL20285546 0.78 EGFR (0.73) EGFRABCG2ERBB2FLT1KDR
Erlotinib SCHEMBL13087138 0.77 EGFR (0.85) EGFRABCG2ERBB2FLT1KDR

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
US-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT ABL1, FLT3, GRK5 EGFR 19/4885ABCG2 175/4885ERBB2 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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