SCHEMBL6990091

SCHEMBL6990091

CN(CCC1CCCCN1C)c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.58
ERBB2 P04626 3/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 1/20 0.54
BRAF P15056 7/20 0.46
EPHA2 P29317 1/20 0.45
KDR P35968 1/20 0.45
EPHB4 P54760 1/20 0.45
ERBB4 Q15303 1/20 0.42

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
SCHEMBL6997903 0.84 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315268 0.81 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997055 0.80 EGFR (0.65) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986988 0.79 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319823 0.78 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994978 0.77 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995224 0.76 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996373 0.76 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997746 0.75 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993578 0.75 EGFR (0.58) 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