SCHEMBL29189982

SCHEMBL29189982

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNC3CCCC3)cc(C(F)(F)F)c2o1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 0.35
▸ S1PR3 Q99500 8/20 0.35
▸ CD274 Q9NZQ7 3/20 0.32
▸ PDCD1 Q15116 2/20 0.32
▸ CBLB Q13191 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ WDR5 P61964 2/20 0.32
▸ VSIR Q9H7M9 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ MCHR1 Q99705 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
SCHEMBL29189916 0.97 S1PR1 (0.35) S1PR1S1PR3CD274PDCD1CBLB
SCHEMBL29190092 0.91 CD274 (0.35) S1PR1S1PR3CD274PDCD1
SCHEMBL29190090 0.91 CD274 (0.35) S1PR1S1PR3CD274PDCD1
SCHEMBL29189986 0.91 S1PR1 (0.36) S1PR1S1PR3CD274PDCD1CBLB
SCHEMBL29189931 0.89 VSIR (0.36) S1PR1S1PR3CD274PDCD1CBLB
SCHEMBL29189949 0.89 S1PR1 (0.36) S1PR1S1PR3CD274PDCD1CBLB
SCHEMBL29190104 0.89 S1PR1 (0.36) S1PR1S1PR3CD274PDCD1CBLB
SCHEMBL29190109 0.89 MDM2 (0.34) S1PR1S1PR3CBLB
SCHEMBL29190106 0.89 MDM2 (0.34) S1PR1S1PR3CBLB
SCHEMBL29190103 0.88 S1PR1 (0.33) S1PR1S1PR3CD274PDCD1CBLB

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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