SCHEMBL29548233

SCHEMBL29548233

c1ccn2ncc([C@H]3CC[C@H](c4ccn(C5CCCCO5)n4)CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMKK1 Q8N5S9 2/20 0.36
▸ CAMKK2 Q96RR4 2/20 0.36
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ RET P07949 2/20 0.32
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL29548554 0.84 CYP4F2 (0.35) CAMKK1CAMKK2CD274RET
SCHEMBL26114225 0.82 CD274 (0.42) ALDH1A1CD274RET
SCHEMBL29548387 0.81 CYP4F2 (0.41) —
SCHEMBL31510673 0.74 CD274 (0.39) CD274RET
SCHEMBL27380210 0.72 CD274 (0.37) CD274RET
SCHEMBL29549122 0.71 CAMKK1 (0.38) CAMKK1CAMKK2DRD4DRD3ALDH1A1
SCHEMBL13425961 0.68 CD274 (0.52) ALDH1A1KDM4ECD274
SCHEMBL21603932 0.68 CD274 (0.38) ALDH1A1CD274RET
SCHEMBL19204932 0.67 CD274 (0.40) ALDH1A1CD274MAPK1HSD17B10
SCHEMBL30210888 0.67 CD274 (0.39) CD274RET

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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