SCHEMBL8315922

SCHEMBL8315922

CCN(C(N)=O)c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.56
ERBB2 P04626 13/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
ERBB4 Q15303 8/20 0.51
GRM1 Q13255 1/20 0.50
DYRK1A Q13627 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
FBP1 P09467 1/20 0.48

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
SCHEMBL6992426 0.88 EGFR (0.53) EGFRERBB2MAPTHPGDHTT
SCHEMBL8522095 0.85 EGFR (0.57) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989564 0.83 EGFR (0.56) EGFRERBB2MAPTHPGDHTT
SCHEMBL8319823 0.83 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8798467 0.81 EGFR (0.53) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315268 0.81 EGFR (0.54) EGFRERBB2MAPTHPGDHTT
SCHEMBL8799300 0.81 EGFR (0.56) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996983 0.80 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL6992452 0.79 GRM1 (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL8484377 0.79 EGFR (0.64) EGFRERBB2MAPTHPGDHTT

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-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed