SCHEMBL30152978

SCHEMBL30152978

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN[C@@H]4CCC[C@@H]4F)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 3/20 0.35
▸ VSIR Q9H7M9 3/20 0.34
▸ S1PR1 P21453 5/20 0.31
▸ S1PR3 Q99500 5/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL24818697 1.00 CBLB (0.35) CBLBVSIRS1PR1S1PR3KCNH2
SCHEMBL24820761 0.93 VSIR (0.35) CBLBVSIRS1PR1S1PR3PDCD1
SCHEMBL24818917 0.93 VSIR (0.35) CBLBVSIRS1PR1S1PR3PDCD1
SCHEMBL24818680 0.93 VSIR (0.35) CBLBVSIRS1PR1S1PR3PDCD1
SCHEMBL24818891 0.93 VSIR (0.35) CBLBVSIRS1PR1S1PR3PDCD1
SCHEMBL30152560 0.93 CBLB (0.34) CBLBVSIRS1PR1S1PR3KCNH2
SCHEMBL24818710 0.93 CBLB (0.34) CBLBVSIRS1PR1S1PR3KCNH2
SCHEMBL24818761 0.92 KCNH2 (0.38) CBLBVSIRS1PR1S1PR3KCNH2
SCHEMBL24820025 0.92 VSIR (0.35) CBLBVSIRS1PR1S1PR3KCNH2
SCHEMBL24820029 0.92 VSIR (0.35) CBLBVSIRS1PR1S1PR3KCNH2

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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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