SCHEMBL24818671

SCHEMBL24818671

Cn1cnnc1-c1cc(C#N)ccc1-c1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 5/20 0.39
▸ NSD2 O96028 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ CBL P22681 2/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ FNTA P49354 4/20 0.32
▸ FNTB P49356 4/20 0.32
▸ ELANE P08246 1/20 0.31
▸ PGGT1B P53609 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SCN9A Q15858 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
SCHEMBL30152973 0.88 CBLB (0.40) CBLBNSD2DGAT1SOAT1KCNH2
SCHEMBL24818672 0.88 CBLB (0.40) CBLBNSD2DGAT1SOAT1KCNH2
SCHEMBL30152840 0.88 CBLB (0.39) CBLBCBLSCN9A
SCHEMBL24821801 0.88 CBLB (0.39) CBLBCBLSCN9A
SCHEMBL30153188 0.87 CBLB (0.43) CBLBCBLSCN9A
SCHEMBL24820229 0.87 CBLB (0.43) CBLBCBLSCN9A
SCHEMBL30152857 0.87 CBLB (0.39) CBLB
SCHEMBL29189918 0.87 CBLB (0.39) CBLB
SCHEMBL24818812 0.81 CBLB (0.39) CBLBNSD2CBLACP1FNTA
SCHEMBL30153053 0.81 CBLB (0.39) CBLBNSD2CBLACP1FNTA

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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