SCHEMBL6986988

SCHEMBL6986988

CN1CCC(N(C)c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.72
ERBB2 P04626 6/20 0.72
HPGD P15428 1/20 0.72
HTT P42858 1/20 0.72
MAPT P10636 1/20 0.57
BRAF P15056 3/20 0.50
AXL P30530 1/20 0.49
ERBB4 Q15303 3/20 0.46
GRM1 Q13255 1/20 0.46
JAK3 P52333 1/20 0.45

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
SCHEMBL6996275 0.92 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997349 0.89 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316549 0.88 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316553 0.88 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996564 0.88 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990921 0.88 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL7585192 0.88 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL7585182 0.88 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996373 0.87 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319344 0.87 EGFR (0.55) 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 6 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 claimed
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 claimed
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 claimed
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