SCHEMBL6996432

SCHEMBL6996432

COC(CNc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.62
EGFR P00533 14/20 0.58
ERBB2 P04626 5/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
FBP1 P09467 2/20 0.50
BCL6 P41182 2/20 0.50
AURKA O14965 1/20 0.50
INSR P06213 1/20 0.50
PDGFRB P09619 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
CLK1 P49759 1/20 0.50
EPHB4 P54760 1/20 0.50
TEK Q02763 1/20 0.50
AURKB Q96GD4 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
MAPT P10636 1/20 0.50
GRM1 Q13255 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
SCHEMBL6993156 0.87 EGFR (0.59) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL8314941 0.84 EGFR (0.55) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL8318375 0.83 EGFR (0.61) EGFRERBB2HPGDHTTFBP1
SCHEMBL6993122 0.83 EGFR (0.60) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL6993701 0.82 EGFR (0.64) EGFRERBB2HPGDHTTFBP1
SCHEMBL8316049 0.82 EGFR (0.59) EGFRERBB2HPGDHTTFBP1
SCHEMBL6993332 0.82 EGFR (0.59) EGFRERBB2HPGDHTTFBP1
SCHEMBL6989432 0.81 STK17A (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL8483667 0.80 EGFR (0.58) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL6994800 0.80 EGFR (0.60) CSNK2A1EGFRERBB2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
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