SCHEMBL29190088

SCHEMBL29190088

CC(O)CNCc1cc(C(F)(F)F)c2oc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 5/20 0.36
▸ S1PR1 P21453 9/20 0.34
▸ S1PR3 Q99500 7/20 0.34
▸ PDCD1 Q15116 3/20 0.33
▸ CD274 Q9NZQ7 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CBLB Q13191 1/20 0.32
▸ TACR1 P25103 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
SCHEMBL29190087 1.00 VSIR (0.36) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29190120 1.00 VSIR (0.36) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29189975 0.94 VSIR (0.36) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29189978 0.94 VSIR (0.36) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29190128 0.94 VSIR (0.35) VSIRS1PR1S1PR3CBLBTACR1
SCHEMBL29190060 0.92 VSIR (0.38) VSIRPDCD1CD274ALDH1A1CYP1A2
SCHEMBL29190057 0.92 VSIR (0.38) VSIRPDCD1CD274ALDH1A1CYP1A2
SCHEMBL29190000 0.91 S1PR1 (0.34) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29189998 0.91 S1PR1 (0.34) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29190154 0.91 S1PR1 (0.34) 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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