SCHEMBL6995641

SCHEMBL6995641

NC1CCCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.64
ERBB2 P04626 3/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
CAMK1D Q8IU85 10/20 0.51
GRM1 Q13255 1/20 0.48
MAP3K7 O43318 1/20 0.45
CSF1R P07333 1/20 0.45
PIM1 P11309 1/20 0.45
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
SYK P43405 1/20 0.45
BLK P51451 1/20 0.45
RIPK4 P57078 1/20 0.45
CSNK2A1 P68400 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAP2K5 Q13163 1/20 0.45
MAP3K11 Q16584 1/20 0.45
AURKB Q96GD4 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
SCHEMBL6997654 0.95 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6988633 0.93 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317479 0.89 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989931 0.89 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.88 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998733 0.87 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317206 0.87 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315979 0.87 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998251 0.87 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990982 0.87 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 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