SCHEMBL26645769

SCHEMBL26645769

C=CC(=O)N1Cc2c(-c3ccncc3)c(-c3ccc4ccsc4c3)nn2CC1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GHSR Q92847 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ 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
SCHEMBL30622334 1.00 EGFR (0.33) EGFRMAPK1GHSRSIGMAR1BRD4
SCHEMBL30622397 0.93 BRD4 (0.37) EGFRMAPK1BRD4CREBBPBTK
SCHEMBL30622384 0.93 BRD4 (0.37) EGFRMAPK1BRD4CREBBPBTK
SCHEMBL26644821 0.93 BRD4 (0.37) EGFRMAPK1BRD4CREBBPBTK
SCHEMBL26645478 0.90 GHSR (0.33) GHSRSIGMAR1BRD4CREBBP
SCHEMBL26645535 0.87 GHSR (0.31) GHSRSIGMAR1BRD4CREBBP
SCHEMBL30622323 0.87 GHSR (0.31) GHSRSIGMAR1BRD4CREBBP
SCHEMBL30622347 0.87 EGFR (0.35) EGFRMAPK1GHSR
SCHEMBL30622329 0.87 TMEM97 (0.33) EGFRMAPK1GHSRSIGMAR1BTK
SCHEMBL26645120 0.87 EGFR (0.35) EGFRMAPK1GHSR

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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