SCHEMBL24821759

SCHEMBL24821759

COc1cc(CNC[C@@H]2CCCO2)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ VSIR Q9H7M9 4/20 0.37
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ PDCD1 Q15116 3/20 0.34
▸ CD274 Q9NZQ7 3/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL24818944 1.00 ATM (0.40) ATML3MBTL1MAPTVSIRKDM4E
SCHEMBL30152568 0.90 VSIR (0.40) VSIRKCNH2PDCD1CD274
SCHEMBL30153084 0.90 VSIR (0.40) VSIRKCNH2PDCD1CD274
SCHEMBL24820273 0.90 VSIR (0.40) VSIRKCNH2PDCD1CD274
SCHEMBL24820155 0.90 VSIR (0.40) VSIRKCNH2PDCD1CD274
SCHEMBL30153006 0.90 VSIR (0.41) VSIRKCNH2PDCD1CD274
SCHEMBL24818952 0.90 VSIR (0.41) VSIRKCNH2PDCD1CD274
SCHEMBL24820380 0.89 L3MBTL1 (0.40) ATML3MBTL1VSIRKDM4EALDH1A1
SCHEMBL24818735 0.88 VSIR (0.40) VSIRSMN1; SMN2KCNH2PDCD1CD274
SCHEMBL24819925 0.87 VSIR (0.40) VSIRKCNH2PDCD1CD274

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
Send feedback