SCHEMBL6986993

SCHEMBL6986993

CN1CCC(CNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.76
ERBB2 P04626 6/20 0.76
HPGD P15428 1/20 0.76
HTT P42858 1/20 0.76
MAPT P10636 1/20 0.61
AXL P30530 1/20 0.47
SOS1 Q07889 2/20 0.47
ERBB4 Q15303 3/20 0.46
JAK3 P52333 1/20 0.46
BCL6 P41182 1/20 0.45
GRM1 Q13255 1/20 0.45
EPHA2 P29317 1/20 0.45
KDR P35968 1/20 0.45
EPHB4 P54760 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
SCHEMBL6997355 0.89 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996377 0.88 EGFR (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL4351961 0.88 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996566 0.88 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990926 0.88 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319342 0.87 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL158563 0.86 EGFR (1.00) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29387986 0.86 EGFR (1.00) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29403789 0.86 EGFR (0.98) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29409569 0.86 EGFR (0.98) 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 4 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-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