SCHEMBL6998905

SCHEMBL6998905

Fc1ccc(Nc2ncnc3cnc(N4CCC(CN5CCCCC5)CC4)nc23)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.73
ERBB2 P04626 4/20 0.73
MAPT P10636 1/20 0.73
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
BRAF P15056 6/20 0.50
ERBB4 Q15303 2/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL6991606 0.99 EGFR (0.75) EGFRERBB2MAPTHPGDHTT
SCHEMBL6988599 0.92 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991747 0.92 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL6999303 0.92 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL6995616 0.92 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488237 0.90 EGFR (0.72) EGFRERBB2MAPTHPGDHTT
SCHEMBL8485776 0.90 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL7576358 0.89 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL8486051 0.89 EGFR (0.72) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990982 0.88 EGFR (0.70) 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 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