SCHEMBL21790935

SCHEMBL21790935

CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccccc6)cc5)c5oc6ccccc6c5c3-4)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDC14B O60729 1/20 0.31
▸ CDC14A Q9UNH5 1/20 0.31
▸ WEE1 P30291 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
SCHEMBL21790634 0.99 CDC14B (0.31) CDC14BCDC14AWEE1
SCHEMBL21790718 0.98 CDC14B (0.31) CDC14BCDC14AWEE1
SCHEMBL21790930 0.96 — —
SCHEMBL21790775 0.96 CDC14B (0.30) CDC14BCDC14A
SCHEMBL21790945 0.95 — —
SCHEMBL21790722 0.94 CDC14B (0.30) CDC14BCDC14A
SCHEMBL21790601 0.93 ALDH1A1 (0.30) —
SCHEMBL21790785 0.93 — —
SCHEMBL21790782 0.93 — —
SCHEMBL22389237 0.93 ALK (0.32) WEE1

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
WO-2020043646-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-03-05 — — WO disclosed
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