SCHEMBL30152560

SCHEMBL30152560

CO[C@H]1CCC[C@@H]1NCc1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 2/20 0.34
▸ VSIR Q9H7M9 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ S1PR1 P21453 4/20 0.31
▸ S1PR3 Q99500 3/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ CETP P11597 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
SCHEMBL24818710 1.00 CBLB (0.34) CBLBVSIRKCNH2KDM4EALDH1A1
SCHEMBL24820059 0.93 CBLB (0.33) CBLBVSIR
SCHEMBL30152798 0.93 CBLB (0.33) CBLBVSIR
SCHEMBL30152978 0.93 CBLB (0.35) CBLBVSIRKCNH2S1PR1S1PR3
SCHEMBL24818697 0.93 CBLB (0.35) CBLBVSIRKCNH2S1PR1S1PR3
SCHEMBL24820761 0.91 VSIR (0.35) CBLBVSIRS1PR1S1PR3PDCD1
SCHEMBL24818680 0.91 VSIR (0.35) CBLBVSIRS1PR1S1PR3PDCD1
SCHEMBL24818917 0.91 VSIR (0.35) CBLBVSIRS1PR1S1PR3PDCD1
SCHEMBL24818891 0.91 VSIR (0.35) CBLBVSIRS1PR1S1PR3PDCD1
SCHEMBL24818932 0.91 KDM4E (0.40) VSIRKCNH2KDM4EALDH1A1PDCD1

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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