SCHEMBL8319342

SCHEMBL8319342

Fc1ccc(Nc2ncnc3cnc(NCC4CCN(CN5CCOCC5)CC4)nc23)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.58
ERBB2 P04626 8/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 2/20 0.54
ERBB4 Q15303 4/20 0.48
JAK3 P52333 1/20 0.48
CIT O14578 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
ABCC4 O15439 1/20 0.46
DAPK3 O43293 1/20 0.46
RIPK2 O43353 1/20 0.46
NR1I2 O75469 1/20 0.46
RPS6KA4 O75676 1/20 0.46
STK17B O94768 1/20 0.46
STK10 O94804 1/20 0.46
PRKD3 O94806 1/20 0.46
ABCB11 O95342 1/20 0.46
MAP4K4 O95819 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
SCHEMBL8315232 0.89 EGFR (0.74) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986993 0.87 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315562 0.87 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319237 0.86 EGFR (0.55) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319241 0.86 EGFR (0.55) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996377 0.85 EGFR (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315785 0.85 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317682 0.85 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997201 0.84 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL4351961 0.83 EGFR (0.60) 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