SCHEMBL30792053

SCHEMBL30792053

COC(=O)c1cc(F)c2oc(-c3cc(-c4ccc(C#N)cc4-c4nncn4C)cc(C4CC4)n3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.41
▸ CYP11B2 P19099 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ CEPT1 Q9Y6K0 1/20 0.33
▸ CETP P11597 9/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ KCNH2 Q12809 3/20 0.32
▸ MAP3K5 Q99683 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ GRM2 Q14416 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
SCHEMBL30153054 1.00 CBLB (0.41) CBLBCYP11B2IDH1CEPT1CETP
SCHEMBL24818967 1.00 CBLB (0.41) CBLBCYP11B2IDH1CEPT1CETP
SCHEMBL30792046 0.91 MAP3K5 (0.34) CBLBCYP11B2KCNH2MAP3K5KDM4E
SCHEMBL24820582 0.91 MAP3K5 (0.34) CBLBCYP11B2KCNH2MAP3K5KDM4E
SCHEMBL30152957 0.91 MAP3K5 (0.34) CBLBCYP11B2KCNH2MAP3K5KDM4E
SCHEMBL24820138 0.90 MAP3K5 (0.34) CBLBGLP1RKCNH2MAP3K5ALDH1A1
SCHEMBL30153076 0.90 MAP3K5 (0.34) CBLBGLP1RKCNH2MAP3K5ALDH1A1
SCHEMBL30792001 0.90 MAP3K5 (0.34) CBLBGLP1RKCNH2MAP3K5ALDH1A1
SCHEMBL24820567 0.88 CBLB (0.41) CBLBCYP11B2CETPKDM4EALDH1A1
SCHEMBL30792199 0.88 CBLB (0.41) CBLBCYP11B2CETPKDM4EALDH1A1

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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