SCHEMBL8486993

SCHEMBL8486993

O=C(NC1CCOCC1)C1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.64
ERBB2 P04626 5/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
BRAF P15056 6/20 0.55
CSNK2A1 P68400 1/20 0.53
BTK Q06187 1/20 0.46
MAPT P10636 1/20 0.45
JAK3 P52333 1/20 0.43
ERBB4 Q15303 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
SCHEMBL8488285 0.92 EGFR (0.66) EGFRERBB2HPGDHTTBRAF
SCHEMBL8488288 0.92 EGFR (0.66) EGFRERBB2HPGDHTTBRAF
SCHEMBL8488340 0.91 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL7092722 0.90 EGFR (0.77) EGFRERBB2HPGDHTTBRAF
SCHEMBL8485712 0.89 EGFR (0.82) EGFRERBB2HPGDHTTBRAF
SCHEMBL6994175 0.88 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL6994172 0.88 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL6993885 0.87 EGFR (0.72) EGFRERBB2HPGDHTTBRAF
SCHEMBL6993876 0.87 EGFR (0.72) EGFRERBB2HPGDHTTBRAF
SCHEMBL8485697 0.87 EGFR (0.68) EGFRERBB2HPGDHTTBRAF

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