SCHEMBL29549089

SCHEMBL29549089

[2H]C1(c2cnn3ccc(-c4cncnc4)cc23)CCC2(CC1)CNC2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAMKK1 Q8N5S9 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ CDC42BPB Q9Y5S2 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
SCHEMBL29548138 0.90 CAMKK1 (0.34) CAMKK1CAMKK2JAK1JAK3JAK2
SCHEMBL29548310 0.75 DRD2 (0.39) CAMKK1CAMKK2JAK1JAK3JAK2
SCHEMBL29548852 0.71 CAMKK1 (0.34) CAMKK1CAMKK2JAK1JAK3JAK2
SCHEMBL29549132 0.68 CAMKK1 (0.35) CAMKK1CAMKK2JAK1JAK3JAK2
SCHEMBL29548514 0.67 GPR119 (0.44) —
SCHEMBL29548910 0.67 CAMKK1 (0.36) CAMKK1CAMKK2JAK1JAK3JAK2
SCHEMBL29548203 0.65 CAMKK1 (0.38) CAMKK1CAMKK2
SCHEMBL29548211 0.60 CYP3A4 (0.34) CAMKK1CAMKK2JAK1JAK3
SCHEMBL3463968 0.57 HDAC4 (0.34) —
SCHEMBL29548228 0.57 SCN5A (0.51) —

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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