SCHEMBL24818930

SCHEMBL24818930

COc1cc(C=O)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ VSIR Q9H7M9 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ HPSE Q9Y251 2/20 0.34
▸ HPGD P15428 3/20 0.33
▸ CTSA P10619 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.32
▸ RPS6KA2 Q15349 1/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL24819012 0.90 HPGD (0.40) VSIRHPGDMAPTBACE1NPC1
SCHEMBL30153031 0.90 VSIR (0.36) VSIRHPGDNPC1RAB9A
SCHEMBL24818959 0.90 VSIR (0.36) VSIRHPGDNPC1RAB9A
SCHEMBL24820372 0.88 VSIR (0.37) VSIRESR1ESR2HPGDMAPT
SCHEMBL30153035 0.88 VSIR (0.37) VSIRESR1ESR2HPGDMAPT
SCHEMBL24820719 0.88 VSIR (0.37) VSIRHPGDMAPK1MEN1NPC1
SCHEMBL30152963 0.88 VSIR (0.37) VSIRHPGDMAPK1MEN1NPC1
SCHEMBL24820065 0.87 VSIR (0.34) VSIRHPGD
SCHEMBL24820375 0.87 VSIR (0.34) VSIRHPGD
SCHEMBL24818753 0.87 VSIR (0.34) VSIRHPGDS1PR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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