SCHEMBL24821870

SCHEMBL24821870

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNCC(O)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 13/20 0.40
▸ CBLB Q13191 1/20 0.34
▸ CETP P11597 1/20 0.32
▸ PDCD1 Q15116 4/20 0.31
▸ CD274 Q9NZQ7 4/20 0.31
▸ S1PR1 P21453 4/20 0.31
▸ S1PR3 Q99500 4/20 0.31
▸ HPGD P15428 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
SCHEMBL30152947 1.00 VSIR (0.40) VSIRCBLBCETPPDCD1CD274
SCHEMBL24819890 0.94 VSIR (0.41) VSIRCBLBCETPPDCD1CD274
SCHEMBL30153193 0.92 VSIR (0.42) VSIRCBLBCETPPDCD1CD274
SCHEMBL24818922 0.92 VSIR (0.42) VSIRCBLBCETPPDCD1CD274
SCHEMBL24819846 0.90 VSIR (0.39) VSIRCBLBCETPPDCD1CD274
SCHEMBL24819904 0.90 VSIR (0.52) VSIRPDCD1CD274
SCHEMBL30152823 0.89 VSIR (0.41) VSIRCBLBCETPPDCD1CD274
SCHEMBL24820056 0.89 VSIR (0.41) VSIRCBLBCETPPDCD1CD274
SCHEMBL24818928 0.89 VSIR (0.43) VSIRCBLBCETPPDCD1CD274
SCHEMBL24820456 0.89 VSIR (0.43) VSIRCBLBCETPPDCD1CD274

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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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