SCHEMBL6990100

SCHEMBL6990100

CC(=O)N1CCN(C2CCC(Nc3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.71
ERBB2 P04626 4/20 0.71
HPGD P15428 1/20 0.71
HTT P42858 1/20 0.71
CSNK2A1 P68400 1/20 0.53
MAPT P10636 1/20 0.50
IRAK4 Q9NWZ3 2/20 0.49
SYK P43405 3/20 0.48
BRAF P15056 2/20 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
SCHEMBL6998610 0.91 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6989864 0.90 EGFR (0.84) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7001287 0.89 EGFR (0.76) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993747 0.89 EGFR (0.75) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8317727 0.88 EGFR (0.74) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994986 0.87 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6990223 0.87 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6992091 0.87 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8317593 0.87 EGFR (0.70) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8315823 0.86 EGFR (0.71) 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 1 patent. 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