SCHEMBL29189946

SCHEMBL29189946

Cc1cc(CO)cc2nc(-c3cccc(-c4ccc(F)cc4)c3-c3nncn3C)oc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 3/20 0.37
▸ CD274 Q9NZQ7 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TP53 P04637 3/20 0.36
▸ CETP P11597 7/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ VSIR Q9H7M9 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ P2RX7 Q99572 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
SCHEMBL29190096 0.84 ALDH1A1 (0.34) PDCD1CD274HPGDTP53CETP
SCHEMBL29190093 0.84 ALDH1A1 (0.34) PDCD1CD274HPGDTP53CETP
SCHEMBL24820049 0.82 VSIR (0.42) PDCD1CD274HPGDTP53CETP
SCHEMBL29189889 0.79 ADORA2A (0.34) HPGDTP53ADORA2AVSIR
SCHEMBL29190018 0.77 ALDH1A1 (0.43) PDCD1CD274HPGDTP53CETP
SCHEMBL29190020 0.76 CBLB (0.35) CETPADORA2AP2RX7
SCHEMBL29190023 0.76 CBLB (0.35) CETPADORA2AP2RX7
SCHEMBL29189920 0.76 CD274 (0.35) PDCD1CD274TP53ADORA2AVSIR
SCHEMBL29190059 0.76 CETP (0.37) HPGDTP53CETPNPC1RAB9A
SCHEMBL24821901 0.75 VSIR (0.42) PDCD1CD274HPGDTP53NPC1

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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