SCHEMBL29706020

SCHEMBL29706020

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5c6ccc7c(c6ccc5n(-c5ccccc5)c4c3)c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3n7-c3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.33
▸ PDK2 Q15119 2/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 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
SCHEMBL20208906 1.00 PGR (0.33) PGRPDK2JAK2JAK3
SCHEMBL26444920 0.98 PDK2 (0.33) PGRPDK2
SCHEMBL20208904 0.98 PDK2 (0.33) PGRPDK2
SCHEMBL25561269 0.95 PDK2 (0.31) PGRPDK2
SCHEMBL20208749 0.91 — —
SCHEMBL29706046 0.91 — —
SCHEMBL20208905 0.90 PDK2 (0.31) PDK2
SCHEMBL29706008 0.90 PDK2 (0.31) PDK2
SCHEMBL17446030 0.88 KDM4E (0.43) PGRPDK2
SCHEMBL19533771 0.88 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940681-A Electroactive compounds 株式会社LG化学 2022-08-26 — — CN disclosed
CN-110023319-B Electroactive compounds 株式会社LG化学 2022-06-17 — — CN disclosed
Send feedback