SCHEMBL24820344

SCHEMBL24820344

CC(=O)NCCNCc1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 8/20 0.42
▸ CD274 Q9NZQ7 7/20 0.37
▸ PDCD1 Q15116 6/20 0.37
▸ S1PR1 P21453 2/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ CBLB Q13191 1/20 0.34
▸ CETP P11597 1/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33

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
SCHEMBL24819018 0.94 VSIR (0.40) VSIRS1PR1S1PR3CBLBCETP
SCHEMBL24819904 0.91 VSIR (0.52) VSIRCD274PDCD1
SCHEMBL30153193 0.90 VSIR (0.42) VSIRCD274PDCD1S1PR1S1PR3
SCHEMBL30152605 0.90 VSIR (0.43) VSIRCD274PDCD1S1PR1S1PR3
SCHEMBL24820456 0.90 VSIR (0.43) VSIRCD274PDCD1S1PR1S1PR3
SCHEMBL24818928 0.90 VSIR (0.43) VSIRCD274PDCD1S1PR1S1PR3
SCHEMBL24818922 0.90 VSIR (0.42) VSIRCD274PDCD1S1PR1S1PR3
SCHEMBL24820345 0.90 S1PR1 (0.41) VSIRCD274PDCD1S1PR1S1PR3
SCHEMBL24820048 0.88 VSIR (0.39) VSIRCD274PDCD1S1PR1S1PR3
SCHEMBL24820688 0.88 VSIR (0.42) VSIRCD274PDCD1S1PR1S1PR3

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 3 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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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