SCHEMBL6993354

SCHEMBL6993354

O=S(=O)(NC1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.68
ERBB2 P04626 3/20 0.68
HPGD P15428 1/20 0.68
HTT P42858 1/20 0.68
CSNK2A1 P68400 2/20 0.53
MAPT P10636 1/20 0.47
BRD4 O60885 1/20 0.43
IDH2 P48735 1/20 0.43
BRAF P15056 2/20 0.43
GRM1 Q13255 1/20 0.43
BCL6 P41182 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
SYK P43405 1/20 0.41
MAP3K8 P41279 1/20 0.41
CDK7 P50613 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
SCHEMBL8314263 0.89 EGFR (0.84) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8312684 0.88 EGFR (0.75) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8312687 0.88 EGFR (0.75) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7578649 0.86 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7578640 0.86 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993885 0.84 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993876 0.84 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7001830 0.84 EGFR (0.67) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6997215 0.84 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7587481 0.84 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1

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