SCHEMBL29190023

SCHEMBL29190023

COC(CO)c1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccc(F)cc4)c3-c3nncn3C)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 12/20 0.35
▸ CETP P11597 2/20 0.33
▸ HSD11B1 P28845 3/20 0.33
▸ ADORA2A P29274 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD11B2 P80365 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL29190020 1.00 CBLB (0.35) CBLBCETPHSD11B1ADORA2AHSD17B1
SCHEMBL29190046 0.87 HSD11B1 (0.33) CBLBCETPHSD11B1HSD17B1HSD11B2
SCHEMBL29190043 0.87 HSD11B1 (0.33) CBLBCETPHSD11B1HSD17B1HSD11B2
SCHEMBL29190161 0.86 MAPK1 (0.34) CBLBCETPLRRK2
SCHEMBL29189960 0.86 CBLB (0.32) CBLBCETP
SCHEMBL29190083 0.86 CBLB (0.32) CBLBCETP
SCHEMBL29190159 0.86 MAPK1 (0.34) CBLBCETPLRRK2
SCHEMBL29189958 0.86 CBLB (0.32) CBLBCETP
SCHEMBL24820265 0.85 VSIR (0.35) CBLBCETP
SCHEMBL24820264 0.85 VSIR (0.35) CBLBCETP

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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