SCHEMBL6995232

SCHEMBL6995232

Fc1ccc(Nc2ncnc3cnc(NCC4CCCCN4)nc23)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.58
ERBB2 P04626 4/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 1/20 0.50
MAP3K8 P41279 1/20 0.50
SYK P43405 3/20 0.46
KCNH2 Q12809 3/20 0.46
GRM1 Q13255 1/20 0.44
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKB Q96GD4 1/20 0.42
SRC P12931 1/20 0.42
CSNK2A1 P68400 2/20 0.41
ERBB4 Q15303 1/20 0.41
SOS1 Q07889 1/20 0.41
CHEK1 O14757 1/20 0.41
FBP1 P09467 1/20 0.40

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
SCHEMBL6990926 0.85 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993247 0.84 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316693 0.82 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996566 0.81 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL4351961 0.81 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991963 0.80 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986993 0.80 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315785 0.80 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6987877 0.80 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994982 0.80 EGFR (0.63) 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 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