SCHEMBL8316967

SCHEMBL8316967

CC(C)(Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)C(=O)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.57
ERBB2 P04626 8/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.48
MKNK2 Q9HBH9 6/20 0.48
MKNK1 Q9BUB5 2/20 0.48
ERBB4 Q15303 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK3 P52333 1/20 0.42
GRM1 Q13255 1/20 0.42

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
SCHEMBL6993725 0.91 EGFR (0.68) EGFRERBB2HPGDHTTMAPT
SCHEMBL6987952 0.91 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986980 0.86 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6999396 0.82 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL7000275 0.81 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316641 0.79 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318372 0.79 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8488100 0.79 EGFR (0.74) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995214 0.78 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994218 0.78 EGFR (0.64) EGFRERBB2HPGDHTTMAPT

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