SCHEMBL24818878

SCHEMBL24818878

COc1cc(CO)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 6/20 0.40
▸ S1PR1 P21453 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CLK1 P49759 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ CTSA P10619 2/20 0.34
▸ HPSE Q9Y251 2/20 0.34
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ HPGD P15428 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAP3K5 Q99683 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
SCHEMBL24820049 0.90 VSIR (0.42) VSIRPDCD1CD274HPGDMAPT
SCHEMBL30153065 0.90 VSIR (0.42) VSIRESR1ESR2PDCD1CD274
SCHEMBL24821901 0.90 VSIR (0.42) VSIRESR1ESR2PDCD1CD274
SCHEMBL30153044 0.88 VSIR (0.41) VSIRPDCD1CD274HPGDMAPT
SCHEMBL30152561 0.88 VSIR (0.42) VSIRESR1ESR2PDCD1CD274
SCHEMBL24820720 0.88 VSIR (0.41) VSIRPDCD1CD274HPGDMAPT
SCHEMBL24819923 0.88 VSIR (0.42) VSIRESR1ESR2PDCD1CD274
SCHEMBL30153006 0.88 VSIR (0.41) VSIRPDCD1CD274
SCHEMBL24818952 0.88 VSIR (0.41) VSIRPDCD1CD274
SCHEMBL24818912 0.87 VSIR (0.39) VSIRS1PR1ESR1ESR2PDCD1

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 4 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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN 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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