SCHEMBL24819853

SCHEMBL24819853

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNCC4(O)CCCC4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.40
▸ VSIR Q9H7M9 10/20 0.39
▸ PDCD1 Q15116 3/20 0.32
▸ CD274 Q9NZQ7 3/20 0.32
▸ S1PR1 P21453 3/20 0.31
▸ S1PR3 Q99500 3/20 0.31
▸ CETP P11597 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
SCHEMBL24818681 0.99 CBLB (0.41) CBLBVSIRPDCD1CD274S1PR1
SCHEMBL24819850 0.97 VSIR (0.39) CBLBVSIRPDCD1CD274S1PR1
SCHEMBL24819885 0.93 VSIR (0.39) CBLBVSIRPDCD1CD274S1PR1
SCHEMBL30153023 0.93 VSIR (0.38) CBLBVSIRPDCD1CD274S1PR1
SCHEMBL24818799 0.93 VSIR (0.38) CBLBVSIRPDCD1CD274S1PR1
SCHEMBL30153196 0.92 CBLB (0.35) CBLBVSIRS1PR1S1PR3CETP
SCHEMBL24820495 0.91 CBLB (0.41) CBLBVSIRPDCD1CD274
SCHEMBL24820562 0.91 CBLB (0.48) CBLBVSIRPDCD1CD274
SCHEMBL24820051 0.91 CBLB (0.41) CBLBVSIRPDCD1CD274
SCHEMBL30152620 0.91 CBLB (0.41) CBLBVSIRPDCD1CD274

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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