SCHEMBL29190038

SCHEMBL29190038

COCCCNCc1cc(C(F)(F)F)c2oc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 9/20 0.37
▸ S1PR1 P21453 5/20 0.35
▸ S1PR3 Q99500 5/20 0.35
▸ PDCD1 Q15116 6/20 0.33
▸ CD274 Q9NZQ7 6/20 0.33
▸ SCN8A Q9UQD0 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ CETP P11597 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
SCHEMBL29189992 0.96 VSIR (0.37) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29189925 0.94 VSIR (0.35) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29189945 0.91 VSIR (0.38) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29190063 0.91 VSIR (0.38) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29189930 0.91 VSIR (0.36) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29190162 0.90 VSIR (0.38) VSIRPDCD1CD274SCN8A
SCHEMBL29189887 0.90 VSIR (0.37) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29189996 0.89 VSIR (0.37) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29189994 0.89 VSIR (0.37) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL29190012 0.88 VSIR (0.39) VSIRPDCD1CD274SCN8A

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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