SCHEMBL25715149

SCHEMBL25715149

C=CC(=O)Nc1cc(C)c(-c2ccc3[nH]nc(NC(=O)OC(C)(C)C)c3c2-c2ccc(Oc3cccc(C)n3)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.36
▸ EGFR P00533 8/20 0.35
▸ ITK Q08881 3/20 0.35
▸ BTK Q06187 5/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ FGFR4 P22455 4/20 0.33
▸ SRC P12931 1/20 0.32
▸ MAP2K7 O14733 2/20 0.32
▸ ERBB2 P04626 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL25715151 0.87 BTK (0.40) EGFRBTKKCNH2SRCMAP2K7
SCHEMBL25716316 0.78 EPHB4 (0.40) EGFRBTKKCNH2FGFR4SRC
SCHEMBL25716378 0.78 BTK (0.40) EGFRBTKKCNH2FGFR4SRC
SCHEMBL25715301 0.77 KDR (0.38) MAPK1EGFRBTKFGFR4SRC
SCHEMBL25716455 0.76 EGFR (0.39) MAPK1EGFRBTKKCNH2FGFR4
SCHEMBL25718196 0.75 BTK (0.39) EGFRITKBTKKCNH2FGFR4
SCHEMBL25716441 0.75 LCK (0.36) MAPK1EGFRBTKKCNH2FGFR4
SCHEMBL25715401 0.74 BTK (0.36) EGFRBTKKCNH2FGFR4
SCHEMBL25715211 0.74 LCK (0.36) MAPK1EGFRBTKKCNH2SRC
SCHEMBL25715071 0.72 BTK (0.49) EGFRBTKKCNH2FGFR4SRC

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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