SCHEMBL29548847

SCHEMBL29548847

Cc1ccc2c([C@H]3CC[C@H](CN(C)C)CC3)cnn2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ TNK2 Q07912 2/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ EPHB3 P54753 1/20 0.32
▸ ABL1 P00519 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ YES1 P07947 1/20 0.30
▸ FGR P09769 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ IRAK1 P51617 1/20 0.30
▸ IRAK4 Q9NWZ3 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
SCHEMBL29548929 0.80 DRD4 (0.39) JAK2JAK1TYK2JAK3TNK2
SCHEMBL29548251 0.74 JAK2 (0.36) JAK2JAK1TYK2JAK3TNK2
SCHEMBL29548232 0.67 EPHB3 (0.43) TNK2MCHR1EPHB3
SCHEMBL29548844 0.67 EPHB3 (0.43) TNK2MCHR1EPHB3
SCHEMBL23425908 0.62 EPHB3 (0.42) EPHB3
SCHEMBL23089448 0.62 EPHB3 (0.40) NPBWR1EPHB3IRAK1
SCHEMBL29548354 0.62 EPHB3 (0.43) EPHB3
SCHEMBL659645 0.61 ALOX5 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL1806808 0.61 — —
SCHEMBL31201601 0.60 RET (0.45) JAK2JAK1TYK2JAK3IRAK1

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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