SCHEMBL24818547

SCHEMBL24818547

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN4CCC5(CC5)C4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 16/20 0.41
▸ S1PR1 P21453 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ VSIR Q9H7M9 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32

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
SCHEMBL30153087 1.00 CBLB (0.41) CBLBS1PR1CYP3A4CYP2D6TSHR
SCHEMBL24818752 0.96 CBLB (0.36) CBLBS1PR1CYP3A4VSIRS1PR3
SCHEMBL30152599 0.96 CBLB (0.36) CBLBS1PR1CYP3A4VSIRS1PR3
SCHEMBL24819886 0.89 CBLB (0.35) CBLBS1PR1VSIRS1PR3
SCHEMBL24819884 0.85 PDCD1 (0.43) CBLBS1PR1VSIRS1PR3
SCHEMBL24822059 0.85 PDCD1 (0.43) CBLBS1PR1VSIRS1PR3
SCHEMBL24818755 0.85 GRM2 (0.38) CBLBS1PR1S1PR3
SCHEMBL24819893 0.85 CBLB (0.40) CBLBS1PR1S1PR3
SCHEMBL24818677 0.85 CBLB (0.40) CBLBS1PR1S1PR3
SCHEMBL24818829 0.85 CBLB (0.42) CBLBS1PR1S1PR3

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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