SCHEMBL24818736

SCHEMBL24818736

C[C@H](NCc1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)nc2c1)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 5/20 0.36
▸ VSIR Q9H7M9 1/20 0.34
▸ CBL P22681 1/20 0.34
▸ MDM2 Q00987 8/20 0.33
▸ HTR3A P46098 1/20 0.32
▸ S1PR1 P21453 5/20 0.31
▸ S1PR3 Q99500 5/20 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
SCHEMBL30153009 1.00 CBLB (0.36) CBLBVSIRCBLMDM2HTR3A
SCHEMBL24819924 0.92 VSIR (0.37) CBLBVSIRS1PR1S1PR3
SCHEMBL24818761 0.90 KCNH2 (0.38) CBLBVSIRCBLHTR3AS1PR1
SCHEMBL24818964 0.89 KCNH2 (0.36) CBLBVSIRMDM2HTR3A
SCHEMBL30153012 0.89 KCNH2 (0.36) CBLBVSIRMDM2HTR3A
SCHEMBL24818666 0.89 KCNH2 (0.40) CBLBVSIRS1PR1S1PR3
SCHEMBL24818875 0.89 VSIR (0.36) CBLBVSIRS1PR1S1PR3
SCHEMBL24818925 0.88 VSIR (0.40) CBLBVSIRHTR3AS1PR1S1PR3
SCHEMBL24820275 0.88 KCNH2 (0.40) CBLBVSIRS1PR1S1PR3
SCHEMBL30152788 0.88 VSIR (0.40) CBLBVSIRHTR3AS1PR1S1PR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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