SCHEMBL13771406

SCHEMBL13771406

Cc1cn([C@H](CO)C(C)(C)C)c2ncc(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.40
▸ PTPN1 P18031 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ CXCR2 P25025 4/20 0.32
▸ GRIN1 Q05586 4/20 0.32
▸ GRIN2B Q13224 4/20 0.32
▸ RXRA P19793 1/20 0.32
▸ CFD P00746 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PCSK9 Q8NBP7 1/20 0.30
▸ CD38 P28907 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
SCHEMBL13771407 0.89 METTL3 (0.30) METTL3
SCHEMBL13771387 0.89 METTL3 (0.53) METTL3PTPN1KLKB1CFDTSHR
SCHEMBL13771366 0.88 METTL3 (0.45) METTL3PTPN1CFDCD38
SCHEMBL11956108 0.85 METTL3 (0.44) METTL3PTPN1KLKB1CFD
SCHEMBL12413342 0.84 METTL3 (0.42) METTL3PTPN1CXCR2CFDPCSK9
SCHEMBL12107664 0.83 METTL3 (0.42) METTL3PTPN1
SCHEMBL12107653 0.83 METTL3 (0.46) METTL3PTPN1CFDPCSK9CD38
SCHEMBL12107671 0.82 METTL3 (0.41) METTL3PTPN1CFDPCSK9CD38
SCHEMBL11956959 0.82 METTL3 (0.41) METTL3PTPN1
SCHEMBL12107665 0.82 METTL3 (0.41) METTL3PTPN1PCSK9CD38

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-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO disclosed
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