SCHEMBL26108669

SCHEMBL26108669

C=CC(=O)N1CCN(c2nccnc2Nc2ccc(OC(F)(F)F)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.42
▸ BTK Q06187 4/20 0.42
▸ ITK Q08881 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.39
▸ KRAS P01116 1/20 0.38
▸ KIT P10721 2/20 0.37
▸ ENPP2 Q13822 1/20 0.36

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
SCHEMBL30591759 1.00 EGFR (0.42) EGFRBTKITKTRPV1KRAS
SCHEMBL26108742 0.87 TRPV1 (0.50) TRPV1KIT
SCHEMBL30591801 0.87 TRPV1 (0.50) TRPV1KIT
SCHEMBL30591708 0.86 EGFR (0.42) EGFRBTKITK
SCHEMBL26108008 0.86 EGFR (0.42) EGFRBTKITK
SCHEMBL26107144 0.82 EGFR (0.43) EGFRBTKTRPV1KIT
SCHEMBL30591862 0.82 EGFR (0.43) EGFRBTKTRPV1KIT
SCHEMBL30591849 0.81 TRPV1 (0.39) EGFRBTKTRPV1KRAS
SCHEMBL30591667 0.81 TRPV1 (0.53) EGFRTRPV1KIT
SCHEMBL26108175 0.81 TRPV1 (0.53) EGFRTRPV1KIT

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
WO-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
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