SCHEMBL6995293

SCHEMBL6995293

Fc1ccc(Nc2ncnc3cnc(NC4CCC(CN5CCNCC5)CC4)nc23)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.70
ERBB2 P04626 4/20 0.70
HPGD P15428 1/20 0.70
HTT P42858 1/20 0.70
MAPT P10636 1/20 0.53
CSNK2A1 P68400 1/20 0.48
ERBB4 Q15303 1/20 0.44
BCL6 P41182 2/20 0.42
GRM1 Q13255 1/20 0.41
MELK Q14680 2/20 0.41
SOS1 Q07889 1/20 0.41
AXL P30530 1/20 0.40
BRAF P15056 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
SCHEMBL6995583 0.93 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317916 0.92 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993837 0.91 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL8522702 0.91 EGFR (0.80) EGFRERBB2HPGDHTTMAPT
SCHEMBL8486069 0.91 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL8486251 0.88 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994986 0.88 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6999445 0.87 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314263 0.86 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318917 0.86 EGFR (0.65) 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