SCHEMBL29189931

SCHEMBL29189931

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNCCC3CCCC3)cc(C(F)(F)F)c2o1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 9/20 0.36
▸ S1PR1 P21453 8/20 0.34
▸ S1PR3 Q99500 8/20 0.34
▸ CBLB Q13191 1/20 0.33
▸ PDCD1 Q15116 4/20 0.33
▸ CD274 Q9NZQ7 4/20 0.33
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 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
SCHEMBL29189986 0.94 S1PR1 (0.36) VSIRS1PR1S1PR3CBLBPDCD1
SCHEMBL29189949 0.93 S1PR1 (0.36) VSIRS1PR1S1PR3CBLBPDCD1
SCHEMBL29190104 0.92 S1PR1 (0.36) VSIRS1PR1S1PR3CBLBPDCD1
SCHEMBL29189945 0.90 VSIR (0.38) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29190063 0.90 VSIR (0.38) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29189988 0.89 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL29189982 0.89 S1PR1 (0.35) VSIRS1PR1S1PR3CBLBPDCD1
SCHEMBL29189887 0.89 VSIR (0.37) VSIRS1PR1S1PR3CBLBPDCD1
SCHEMBL29190133 0.88 VSIR (0.35) VSIRPDCD1CD274
SCHEMBL29189994 0.88 VSIR (0.37) VSIRS1PR1S1PR3PDCD1CD274

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
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