SCHEMBL24818949

SCHEMBL24818949

C[C@H]1CCC[C@@H](NCc2cc(C(F)(F)F)c3oc(-c4cccc(-c5ccc(F)cc5-c5nncn5C)c4)nc3c2)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 4/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ VSIR Q9H7M9 1/20 0.33
▸ HTR3A P46098 1/20 0.31
▸ S1PR1 P21453 3/20 0.30
▸ S1PR3 Q99500 3/20 0.30
▸ CBL P22681 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL24818950 1.00 CBLB (0.34) CBLBKCNH2VSIRHTR3AS1PR1
SCHEMBL24818761 0.95 KCNH2 (0.38) CBLBKCNH2VSIRHTR3AS1PR1
SCHEMBL24818666 0.93 KCNH2 (0.40) CBLBKCNH2VSIRS1PR1S1PR3
SCHEMBL24820275 0.93 KCNH2 (0.40) CBLBKCNH2VSIRS1PR1S1PR3
SCHEMBL24818875 0.92 VSIR (0.36) CBLBKCNH2VSIRS1PR1S1PR3
SCHEMBL24821917 0.89 VSIR (0.36) CBLBKCNH2VSIRS1PR1S1PR3
SCHEMBL24818741 0.89 VSIR (0.36) CBLBKCNH2VSIRS1PR1S1PR3
SCHEMBL24818739 0.89 VSIR (0.36) CBLBKCNH2VSIRS1PR1S1PR3
SCHEMBL24818697 0.89 CBLB (0.35) CBLBKCNH2VSIRS1PR1S1PR3
SCHEMBL30152978 0.89 CBLB (0.35) CBLBKCNH2VSIRS1PR1S1PR3

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 4 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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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