SCHEMBL8486972

SCHEMBL8486972

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.64
ERBB2 P04626 5/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
CSNK2A1 P68400 1/20 0.51
MAPT P10636 1/20 0.45
AURKB Q96GD4 1/20 0.44
BRAF P15056 7/20 0.43
BCL6 P41182 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ERBB4 Q15303 1/20 0.41
GRM1 Q13255 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
SCHEMBL8649189 1.00 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993850 0.85 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8486974 0.84 EGFR (0.63) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8486979 0.84 EGFR (0.63) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314263 0.84 EGFR (0.84) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993919 0.83 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6999338 0.83 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6999332 0.83 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318688 0.82 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318694 0.82 EGFR (0.73) 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