SCHEMBL29548929

SCHEMBL29548929

CN(C)C[C@H]1CC[C@H](c2cnn3ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ TNK2 Q07912 2/20 0.37
▸ CAMKK1 Q8N5S9 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ JAK1 P23458 5/20 0.37
▸ TYK2 P29597 3/20 0.37
▸ JAK2 O60674 3/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL29548251 0.81 JAK2 (0.36) DYRK1ATNK2JAK1TYK2JAK2
SCHEMBL29548847 0.80 JAK2 (0.35) TNK2JAK1TYK2JAK2JAK3
SCHEMBL29548232 0.78 EPHB3 (0.43) TNK2
SCHEMBL29548844 0.78 EPHB3 (0.43) TNK2
SCHEMBL5849179 0.73 DRD4 (0.39) DRD4DRD3DYRK1AALDH1A1KDM4E
SCHEMBL29549122 0.71 CAMKK1 (0.38) DRD4DRD3CAMKK1CAMKK2ALDH1A1
SCHEMBL29548217 0.69 ALDH1A1 (0.40) DRD4DRD3CAMKK1CAMKK2ALDH1A1
SCHEMBL29548203 0.69 CAMKK1 (0.38) DRD4DRD3CAMKK1CAMKK2ALDH1A1
SCHEMBL12540412 0.67 CAMKK1 (0.41) DRD4DRD3CAMKK1CAMKK2ALDH1A1
SCHEMBL29548839 0.66 DRD4 (0.34) DRD4DRD3CAMKK1CAMKK2ALDH1A1

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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