SCHEMBL29190000

SCHEMBL29190000

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNCC(O)C3CC3)cc(C(F)(F)F)c2o1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 13/20 0.34
▸ S1PR3 Q99500 12/20 0.34
▸ VSIR Q9H7M9 6/20 0.34
▸ CBLB Q13191 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 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
SCHEMBL29190154 1.00 S1PR1 (0.34) S1PR1S1PR3VSIRCBLBPDCD1
SCHEMBL29189998 1.00 S1PR1 (0.34) S1PR1S1PR3VSIRCBLBPDCD1
SCHEMBL29190120 0.91 VSIR (0.36) S1PR1S1PR3VSIRCBLBPDCD1
SCHEMBL29190088 0.91 VSIR (0.36) S1PR1S1PR3VSIRCBLBPDCD1
SCHEMBL29189975 0.91 VSIR (0.36) S1PR1S1PR3VSIRPDCD1CD274
SCHEMBL29190087 0.91 VSIR (0.36) S1PR1S1PR3VSIRCBLBPDCD1
SCHEMBL29189978 0.91 VSIR (0.36) S1PR1S1PR3VSIRPDCD1CD274
SCHEMBL29190104 0.90 S1PR1 (0.36) S1PR1S1PR3VSIRCBLBPDCD1
SCHEMBL29190128 0.90 VSIR (0.35) S1PR1S1PR3VSIRCBLB
SCHEMBL29189986 0.89 S1PR1 (0.36) S1PR1S1PR3VSIRCBLBPDCD1

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
Send feedback