SCHEMBL6996319

SCHEMBL6996319

NCCC1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.72
ERBB2 P04626 3/20 0.72
HPGD P15428 1/20 0.72
HTT P42858 1/20 0.72
MAPT P10636 1/20 0.53
CSNK2A1 P68400 1/20 0.52
GRM1 Q13255 1/20 0.48
BCL6 P41182 2/20 0.44
BRAF P15056 3/20 0.43
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
FBP1 P09467 1/20 0.41
CD38 P28907 1/20 0.41
SOS1 Q07889 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6989781 0.94 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989773 0.94 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314263 0.92 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
SCHEMBL8482954 0.90 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319333 0.89 EGFR (0.67) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319327 0.89 EGFR (0.67) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992157 0.89 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL7587481 0.89 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990717 0.89 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997923 0.88 EGFR (0.72) 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