SCHEMBL8488288

SCHEMBL8488288

O=C(N[C@H]1CC[C@H](O)CC1)C1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.66
ERBB2 P04626 6/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
CSNK2A1 P68400 2/20 0.54
BRAF P15056 2/20 0.50
MAPT P10636 1/20 0.46
BTK Q06187 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ERBB4 Q15303 1/20 0.42
GRM1 Q13255 1/20 0.42
BCL6 P41182 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 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
SCHEMBL8488285 1.00 EGFR (0.66) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8488340 0.92 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8486993 0.92 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8316770 0.92 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6997215 0.92 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6997208 0.92 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8485712 0.91 EGFR (0.82) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8485773 0.89 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8485770 0.89 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993876 0.88 EGFR (0.72) 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
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US disclosed