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Sugi Predict / Compounds / SCHEMBL30153163

SCHEMBL30153163

SCHEMBL30153163

[2H]C([2H])(O)c1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 4/20 0.39
▸ S1PR1 P21453 11/20 0.34
▸ S1PR3 Q99500 8/20 0.34
▸ CETP P11597 1/20 0.33
▸ CBLB Q13191 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL24818674 0.94 VSIR (0.40) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL24818892 0.90 VSIR (0.36) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL30152815 0.89 VSIR (0.40) VSIRS1PR1S1PR3CBLBHPGD
SCHEMBL24820062 0.89 VSIR (0.40) VSIRS1PR1S1PR3CBLBHPGD
SCHEMBL24819904 0.89 VSIR (0.52) VSIR
SCHEMBL30152856 0.87 VSIR (0.40) VSIRS1PR1S1PR3HPGD
SCHEMBL24821896 0.87 VSIR (0.40) VSIRS1PR1S1PR3HPGD
SCHEMBL24819018 0.87 VSIR (0.40) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL24819924 0.87 VSIR (0.37) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL30152823 0.86 VSIR (0.41) VSIRS1PR1S1PR3CETPCBLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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