SCHEMBL8317382

SCHEMBL8317382

COc1ccc(-c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.54
ERBB2 P04626 5/20 0.54
FBP1 P09467 2/20 0.54
AURKA O14965 1/20 0.54
INSR P06213 1/20 0.54
PDGFRB P09619 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
CLK1 P49759 1/20 0.54
EPHB4 P54760 1/20 0.54
TEK Q02763 1/20 0.54
AURKB Q96GD4 1/20 0.54
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52
GRM1 Q13255 1/20 0.50
APP P05067 1/20 0.50
MAPT P10636 1/20 0.49
CD38 P28907 1/20 0.49

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
SCHEMBL8314795 0.86 EGFR (0.59) EGFRERBB2FBP1AURKAINSR
SCHEMBL6997517 0.81 EGFR (0.63) EGFRERBB2FBP1AURKAINSR
SCHEMBL8319146 0.80 EGFR (0.61) EGFRERBB2FBP1AURKAINSR
SCHEMBL6992452 0.77 GRM1 (0.65) EGFRERBB2FBP1AURKAINSR
SCHEMBL8314923 0.77 EGFR (0.63) EGFRERBB2FBP1AURKAINSR
SCHEMBL8319823 0.77 EGFR (0.64) EGFRERBB2FBP1AURKAINSR
SCHEMBL6994181 0.77 EGFR (0.58) EGFRERBB2FBP1AURKAINSR
SCHEMBL8205589 0.76 EGFR (0.73) EGFRERBB2FBP1AURKAINSR
SCHEMBL8312566 0.76 EGFR (0.57) EGFRERBB2FBP1AURKAINSR
SCHEMBL8484377 0.76 EGFR (0.64) EGFRERBB2AURKAHPGDHTT

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
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed