SCHEMBL25716987

SCHEMBL25716987

C=CC(=O)Nc1cc(C)c(-c2c(-c3ccc(Oc4cccc(C)n4)cc3)c(C(N)=O)c3n2CCCN3)cn1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.37
▸ EGFR P00533 4/20 0.37

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
SCHEMBL25714798 0.86 BTK (0.46) BTKEGFR
SCHEMBL31745466 0.83 BTK (0.36) BTKEGFR
SCHEMBL30791524 0.82 BTK (0.47) BTKEGFR
SCHEMBL25714796 0.79 BTK (0.39) BTKEGFR
SCHEMBL25716989 0.77 BTK (0.35) BTKEGFR
SCHEMBL25718196 0.75 BTK (0.39) BTKEGFR
SCHEMBL25718318 0.75 BTK (0.44) BTKEGFR
SCHEMBL31745513 0.74 BTK (0.37) BTKEGFR
SCHEMBL30791511 0.74 BTK (0.40) BTKEGFR
SCHEMBL25715151 0.73 BTK (0.40) BTKEGFR

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-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
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