SCHEMBL8316262

SCHEMBL8316262

Fc1ccc(Nc2ncnc3cnc(N4CCC(OCCN5CCOCC5)CC4)nc23)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
ERBB2 P04626 10/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
ERBB4 Q15303 4/20 0.52
KIT P10721 3/20 0.52
SRC P12931 3/20 0.52
ERBB3 P21860 3/20 0.52
CIT O14578 2/20 0.52
GAK O14976 2/20 0.52
EPHB6 O15197 2/20 0.52
RIPK2 O43353 2/20 0.52
STK17B O94768 2/20 0.52
STK10 O94804 2/20 0.52
ABL1 P00519 2/20 0.52
LCK P06239 2/20 0.52
LYN P07948 2/20 0.52
RET P07949 2/20 0.52
MET P08581 2/20 0.52

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
SCHEMBL6999303 0.87 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989118 0.86 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317992 0.85 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317856 0.85 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998708 0.84 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317480 0.83 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996816 0.83 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998959 0.83 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL6994666 0.82 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997124 0.81 EGFR (0.66) 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