SCHEMBL26645535

SCHEMBL26645535

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 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
SCHEMBL26645478 0.89 GHSR (0.33) GHSRSIGMAR1BRD4CREBBP
SCHEMBL26645769 0.87 EGFR (0.33) GHSRSIGMAR1BRD4CREBBP
SCHEMBL30622334 0.87 EGFR (0.33) GHSRSIGMAR1BRD4CREBBP
SCHEMBL30623066 0.84 USP30 (0.33) GHSRSIGMAR1
SCHEMBL26644840 0.81 JAK3 (0.31) SIGMAR1
SCHEMBL30622433 0.81 JAK3 (0.31) SIGMAR1
SCHEMBL30622397 0.81 BRD4 (0.37) BRD4CREBBP
SCHEMBL30622384 0.81 BRD4 (0.37) BRD4CREBBP
SCHEMBL26644821 0.81 BRD4 (0.37) BRD4CREBBP
SCHEMBL26645209 0.77 GHSR (0.33) GHSR

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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