SCHEMBL5553089

SCHEMBL5553089

COc1ccc(N(C)c2ccccc2-c2nc(Cl)nc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.66
▸ PDGFRB P09619 2/20 0.66
▸ KDR P35968 2/20 0.66
▸ MERTK Q12866 3/20 0.48
▸ CASP1 P29466 1/20 0.46
▸ CASP14 P31944 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP2 P42575 1/20 0.46
▸ CASP4 P49662 1/20 0.46
▸ CASP5 P51878 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP9 P55211 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ CASP8 Q14790 1/20 0.46
▸ CASP12 Q6UXS9 1/20 0.46
▸ CASP10 Q92851 1/20 0.46
▸ TUBB4A P04350 2/20 0.46
▸ TUBB P07437 2/20 0.46
▸ TUBA3C P0DPH7 2/20 0.46
▸ TUBA1B P68363 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
SCHEMBL5553119 0.84 EGFR (0.46) EGFRPDGFRBKDRADORA2A
SCHEMBL2257339 0.80 EGFR (1.00) EGFRPDGFRBKDRMERTKCASP1
Hydrochloric Acid SCHEMBL1685084 0.79 EGFR (0.97) EGFRPDGFRBKDRMERTKCASP1
SCHEMBL5559424 0.77 USP2 (0.46) EGFRPDGFRBKDRLMNA
SCHEMBL6778392 0.73 CES1 (0.49) EGFRPDGFRBKDRMERTKCASP1
SCHEMBL12048740 0.70 EGFR (0.51) EGFRPDGFRBKDRMERTKCASP1
SCHEMBL28563328 0.70 ABL1 (0.50) EGFRPDGFRBKDRLMNAHPGD
SCHEMBL3118902 0.70 EGFR (0.75) EGFRPDGFRBKDRMERTKCASP1
SCHEMBL5552958 0.70 EGFR (0.43) EGFRPDGFRBKDRMERTKLMNA
SCHEMBL3108888 0.69 EGFR (0.76) EGFRPDGFRBKDRTUBB4ATUBB

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
EP-1833511-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2007-09-19 — — EP disclosed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 — — WO disclosed
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