SCHEMBL24818752

SCHEMBL24818752

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN4CCC5(CC4)CC5)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 12/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ S1PR1 P21453 5/20 0.33
▸ VSIR Q9H7M9 1/20 0.33
▸ S1PR3 Q99500 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CBL P22681 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
SCHEMBL30152599 1.00 CBLB (0.36) CBLBCYP3A4S1PR1VSIRS1PR3
SCHEMBL24818547 0.96 CBLB (0.41) CBLBCYP3A4S1PR1VSIRS1PR3
SCHEMBL30153087 0.96 CBLB (0.41) CBLBCYP3A4S1PR1VSIRS1PR3
SCHEMBL24819886 0.89 CBLB (0.35) CBLBS1PR1VSIRS1PR3CBL
SCHEMBL24822059 0.87 PDCD1 (0.43) CBLBS1PR1VSIRS1PR3
SCHEMBL24819884 0.87 PDCD1 (0.43) CBLBS1PR1VSIRS1PR3
SCHEMBL24818677 0.86 CBLB (0.40) CBLBS1PR1S1PR3
SCHEMBL24818829 0.86 CBLB (0.42) CBLBS1PR1S1PR3
SCHEMBL24818755 0.86 GRM2 (0.38) CBLBS1PR1S1PR3
SCHEMBL24819893 0.86 CBLB (0.40) 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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