SCHEMBL8315925

SCHEMBL8315925

NC(=O)CCNc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.55
ERBB2 P04626 8/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
GRM1 Q13255 1/20 0.50
CSNK2A1 P68400 3/20 0.49
DYRK1A Q13627 1/20 0.49
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MAPT P10636 1/20 0.47
ERBB4 Q15303 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 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
SCHEMBL8317514 0.95 EGFR (0.54) EGFRERBB2HPGDHTTGRM1
SCHEMBL6993122 0.88 EGFR (0.60) EGFRERBB2HPGDHTTGRM1
SCHEMBL8319127 0.88 EGFR (0.54) EGFRERBB2HPGDHTTGRM1
SCHEMBL6989432 0.86 STK17A (0.62) EGFRERBB2HPGDHTTGRM1
SCHEMBL8317956 0.86 EGFR (0.56) EGFRERBB2HPGDHTTGRM1
SCHEMBL8319040 0.85 EGFR (0.54) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6990324 0.85 STK17A (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL8314458 0.85 EGFR (0.53) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6992551 0.85 EGFR (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL6995363 0.84 EGFR (0.55) EGFRERBB2HPGDHTTCSNK2A1

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