SCHEMBL26645220

SCHEMBL26645220

C=CC(=O)N1Cc2c(-c3ccncc3)c(-c3ccc4cc(Cl)sc4c3)nn2CC1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ EGFR P00533 7/20 0.33
▸ KRAS P01116 7/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ GHSR Q92847 1/20 0.31
▸ BTK Q06187 1/20 0.30

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
SCHEMBL30622329 1.00 TMEM97 (0.33) TMEM97SIGMAR1EGFRKRASMAPK1
SCHEMBL30622347 0.90 EGFR (0.35) EGFRKRASMAPK1GHSR
SCHEMBL26645120 0.90 EGFR (0.35) EGFRKRASMAPK1GHSR
SCHEMBL26645143 0.90 TMEM97 (0.35) TMEM97SIGMAR1GHSR
SCHEMBL26645769 0.87 EGFR (0.33) SIGMAR1EGFRMAPK1GHSRBTK
SCHEMBL30622334 0.87 EGFR (0.33) SIGMAR1EGFRMAPK1GHSRBTK
SCHEMBL30622924 0.85 USP30 (0.32) TMEM97SIGMAR1
SCHEMBL30622397 0.85 BRD4 (0.37) EGFRMAPK1BTK
SCHEMBL30622384 0.85 BRD4 (0.37) EGFRMAPK1BTK
SCHEMBL26644821 0.85 BRD4 (0.37) EGFRMAPK1BTK

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-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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