SCHEMBL6989864

SCHEMBL6989864

CN1CCN(C2CCC(Nc3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)CC1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.84
ERBB2 P04626 5/20 0.84
HPGD P15428 1/20 0.84
HTT P42858 1/20 0.84
MAPT P10636 1/20 0.53
BCL6 P41182 2/20 0.51
CSNK2A1 P68400 1/20 0.49
IRAK4 Q9NWZ3 2/20 0.46
AXL P30530 1/20 0.46
BRAF P15056 1/20 0.45
ERBB4 Q15303 2/20 0.45
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
SCHEMBL8487409 0.93 EGFR (0.90) EGFRERBB2HPGDHTTMAPT
SCHEMBL7001287 0.92 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993747 0.92 EGFR (0.75) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL158563 0.91 EGFR (1.00) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29387986 0.91 EGFR (1.00) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29409569 0.91 EGFR (0.98) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29403789 0.91 EGFR (0.98) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990100 0.90 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990223 0.90 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994986 0.90 EGFR (0.73) 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