SCHEMBL29190108

SCHEMBL29190108

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CN3CC[C@H](O)C3)cc(C(F)(F)F)c2o1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 14/20 0.43
▸ CD274 Q9NZQ7 14/20 0.43
▸ S1PR1 P21453 5/20 0.39
▸ S1PR3 Q99500 5/20 0.39
▸ VSIR Q9H7M9 1/20 0.37
▸ NSD2 O96028 1/20 0.37

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
SCHEMBL29190111 1.00 PDCD1 (0.43) PDCD1CD274S1PR1S1PR3VSIR
SCHEMBL29190169 0.90 CBLB (0.39) PDCD1CD274S1PR1S1PR3
SCHEMBL29190171 0.90 CBLB (0.39) PDCD1CD274S1PR1S1PR3
SCHEMBL29190104 0.84 S1PR1 (0.36) PDCD1CD274S1PR1S1PR3VSIR
SCHEMBL24822059 0.84 PDCD1 (0.43) PDCD1CD274S1PR1S1PR3VSIR
SCHEMBL24819884 0.84 PDCD1 (0.43) PDCD1CD274S1PR1S1PR3VSIR
SCHEMBL29189916 0.83 S1PR1 (0.35) PDCD1CD274S1PR1S1PR3VSIR
SCHEMBL29189949 0.83 S1PR1 (0.36) PDCD1CD274S1PR1S1PR3VSIR
SCHEMBL29189986 0.83 S1PR1 (0.36) PDCD1CD274S1PR1S1PR3VSIR
SCHEMBL29189982 0.82 S1PR1 (0.35) PDCD1CD274S1PR1S1PR3VSIR

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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