SCHEMBL30792046

SCHEMBL30792046

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 3/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CBLB Q13191 2/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 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
SCHEMBL24820582 1.00 MAP3K5 (0.34) MAP3K5IDO1CYP11B2GRM2KCNH2
SCHEMBL30152957 1.00 MAP3K5 (0.34) MAP3K5IDO1CYP11B2GRM2KCNH2
SCHEMBL30792033 0.94 HPGD (0.33) MAP3K5IDO1CYP11B2CBLBCYP11B1
SCHEMBL30152670 0.94 HPGD (0.33) MAP3K5IDO1CYP11B2CBLBCYP11B1
SCHEMBL24820121 0.94 HPGD (0.33) MAP3K5IDO1CYP11B2CBLBCYP11B1
SCHEMBL24820138 0.93 MAP3K5 (0.34) MAP3K5GRM2KCNH2CBLBALDH1A1
SCHEMBL24821974 0.93 SMN1; SMN2 (0.34) MAP3K5IDO1CYP11B2CBLBCYP11B1
SCHEMBL30153076 0.93 MAP3K5 (0.34) MAP3K5GRM2KCNH2CBLBALDH1A1
SCHEMBL30792080 0.93 SMN1; SMN2 (0.34) MAP3K5IDO1CYP11B2CBLBCYP11B1
SCHEMBL30792001 0.93 MAP3K5 (0.34) MAP3K5GRM2KCNH2CBLBALDH1A1

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
Send feedback