SCHEMBL29190130

SCHEMBL29190130

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNCC(C)(C)F)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 5/20 0.33
▸ TACR1 P25103 1/20 0.31
▸ CBLB Q13191 1/20 0.30
▸ S1PR1 P21453 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
SCHEMBL29190141 0.86 CBLB (0.34) CBLB
SCHEMBL29189887 0.83 VSIR (0.37) VSIRTACR1CBLBS1PR1
SCHEMBL30152981 0.83 CBLB (0.34) VSIRCBLB
SCHEMBL29190042 0.81 IDH1 (0.34) CBLBS1PR1
SCHEMBL29190048 0.81 IDH1 (0.34) CBLBS1PR1
SCHEMBL29190140 0.79 CNR2 (0.40) CBLB
SCHEMBL29190139 0.79 CNR2 (0.40) CBLB
SCHEMBL24820318 0.77 CBLB (0.34) VSIRCBLB
SCHEMBL30152624 0.77 CBLB (0.34) VSIRCBLB
SCHEMBL29189945 0.76 VSIR (0.38) VSIRTACR1S1PR1

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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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