SCHEMBL29189949

SCHEMBL29189949

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNCC3CCC3)cc(C(F)(F)F)c2o1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.36
▸ S1PR3 Q99500 10/20 0.36
▸ VSIR Q9H7M9 6/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CBLB Q13191 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 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
SCHEMBL29189986 0.99 S1PR1 (0.36) S1PR1S1PR3VSIRJAK2JAK1
SCHEMBL29190104 0.97 S1PR1 (0.36) S1PR1S1PR3VSIRJAK2JAK1
SCHEMBL29189931 0.93 VSIR (0.36) S1PR1S1PR3VSIRCBLBPDCD1
SCHEMBL29189893 0.91 CD274 (0.39) VSIRCBLBIDO1PDCD1CD274
SCHEMBL29189977 0.90 L3MBTL1 (0.35) S1PR1S1PR3VSIRCBLB
SCHEMBL29189979 0.90 L3MBTL1 (0.35) S1PR1S1PR3VSIRCBLB
SCHEMBL29190080 0.89 VSIR (0.36) VSIRJAK2JAK1TYK2JAK3
SCHEMBL29189982 0.89 S1PR1 (0.35) S1PR1S1PR3VSIRCBLBPDCD1
SCHEMBL29189916 0.89 S1PR1 (0.35) S1PR1S1PR3VSIRCBLBPDCD1
SCHEMBL29190063 0.88 VSIR (0.38) S1PR1S1PR3VSIRPDCD1CD274

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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