SCHEMBL29548592

SCHEMBL29548592

CC(C)(C)[Si](OCCN1CC2(CCC(c3cnn4ccc(-c5cncnc5)cc34)CC2)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SMYD2 Q9NRG4 2/20 0.31
▸ CAMKK1 Q8N5S9 1/20 0.31
▸ CAMKK2 Q96RR4 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
SCHEMBL29548310 0.78 DRD2 (0.39) CAMKK1CAMKK2
SCHEMBL29548514 0.73 GPR119 (0.44) —
SCHEMBL29548138 0.71 CAMKK1 (0.34) CAMKK1CAMKK2
SCHEMBL29548852 0.67 CAMKK1 (0.34) CAMKK1CAMKK2
SCHEMBL29549132 0.65 CAMKK1 (0.35) CAMKK1CAMKK2
SCHEMBL29549089 0.65 CAMKK1 (0.32) CAMKK1CAMKK2
SCHEMBL29548910 0.63 CAMKK1 (0.36) CAMKK1CAMKK2
SCHEMBL30801122 0.63 SMYD2 (0.40) SMYD2
SCHEMBL28735718 0.61 MEN1 (0.49) SMYD2
SCHEMBL22559469 0.60 NR1H2 (0.37) SMYD2

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-2022070288-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND 旭化成ファーマ株式会社 2022-04-07 — — WO disclosed
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