SCHEMBL29548910

SCHEMBL29548910

C[C@H](O)[C@H]1CC[C@H](c2cnn3ccc(-c4cncnc4)cc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAMKK1 Q8N5S9 1/20 0.36
▸ CAMKK2 Q96RR4 1/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ CD38 P28907 1/20 0.32
▸ JAK1 P23458 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ SCN5A Q14524 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ EPHB3 P54753 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL29549132 0.79 CAMKK1 (0.35) CAMKK1CAMKK2DRD2KCNH2HTR1B
SCHEMBL29548310 0.76 DRD2 (0.39) CAMKK1CAMKK2DRD2KCNH2HTR1B
SCHEMBL29548852 0.74 CAMKK1 (0.34) CAMKK1CAMKK2DRD2KCNH2HTR1B
SCHEMBL29548138 0.74 CAMKK1 (0.34) CAMKK1CAMKK2DRD2KCNH2HTR1B
SCHEMBL29548514 0.70 GPR119 (0.44) —
SCHEMBL24338888 0.67 CSNK2A1 (0.34) CAMKK1CAMKK2DRD2
SCHEMBL29549089 0.67 CAMKK1 (0.32) CAMKK1CAMKK2KCNH2JAK1JAK3
SCHEMBL29241277 0.64 CAMKK1 (0.43) CAMKK1CAMKK2
SCHEMBL22650905 0.63 PIK3CA (0.47) CAMKK1CAMKK2JAK1JAK3JAK2
SCHEMBL30478898 0.63 JAK2 (0.42) CAMKK1CAMKK2JAK1JAK3JAK2

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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