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SCHEMBL29547985

SCHEMBL29547985

Cn1c2ccncc2c2ccc(-c3ccc(OCCCCCOCCOC(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C(F)(F)F)nc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 6/20 0.43
▸ EGFR P00533 8/20 0.40
▸ RAF1 P04049 2/20 0.39
▸ CRBN Q96SW2 4/20 0.39
▸ AR P10275 1/20 0.38
▸ MELK Q14680 1/20 0.38
▸ ERBB2 P04626 1/20 0.37
▸ IL2 P60568 1/20 0.37
▸ ITK Q08881 1/20 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
SCHEMBL20120602 1.00 BRD9 (0.43) BRD9EGFRRAF1CRBNAR
SCHEMBL29547818 0.91 BRD9 (0.47) BRD9EGFRRAF1CRBNAR
SCHEMBL20120798 0.91 BRD9 (0.47) BRD9EGFRRAF1CRBNAR
SCHEMBL20120901 0.88 BRD9 (0.43) BRD9EGFRCRBNMELKERBB2
SCHEMBL20133038 0.87 BRD9 (0.47) BRD9EGFRCRBNMELKERBB2
SCHEMBL20120760 0.86 BRD9 (0.37) BRD9EGFRRAF1CRBNERBB2
SCHEMBL29547680 0.86 BRD9 (0.37) BRD9EGFRRAF1CRBNERBB2
SCHEMBL20120759 0.86 BRD9 (0.37) BRD9EGFRRAF1CRBNERBB2
SCHEMBL29547692 0.85 BRD9 (0.45) BRD9EGFRCRBNITK
SCHEMBL20120780 0.85 BRD9 (0.45) BRD9EGFRCRBNITK

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
EP-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 — — EP disclosed