SCHEMBL6992496

SCHEMBL6992496

CC(=O)N(C)C1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.69
ERBB2 P04626 7/20 0.69
HPGD P15428 1/20 0.69
HTT P42858 1/20 0.69
CSNK2A1 P68400 1/20 0.55
MAPT P10636 1/20 0.50
BRAF P15056 2/20 0.49
SYK P43405 2/20 0.46
ERBB4 Q15303 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BTK Q06187 1/20 0.44
BCL6 P41182 1/20 0.43

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
SCHEMBL3473824 0.90 EGFR (0.76) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6989676 0.90 EGFR (0.76) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318694 0.88 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318688 0.88 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7584754 0.88 EGFR (0.66) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7584741 0.88 EGFR (0.66) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314263 0.88 EGFR (0.84) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8319512 0.88 EGFR (0.70) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8319506 0.88 EGFR (0.70) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6995784 0.88 EGFR (0.70) 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 2 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-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