SCHEMBL22544656

SCHEMBL22544656

Cc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1cc[nH]c(=O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.51
▸ JAK1 P23458 9/20 0.51
▸ JAK2 O60674 7/20 0.51
▸ TYK2 P29597 4/20 0.51
▸ LRRK2 Q5S007 2/20 0.49
▸ PTK2 Q05397 1/20 0.47
▸ EIF2AK4 Q9P2K8 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ MAP3K7 O43318 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ NUAK1 O60285 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.42
▸ MYLK4 Q86YV6 2/20 0.42
▸ STK17A Q9UEE5 2/20 0.42

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
SCHEMBL22544640 0.81 JAK3 (0.55) JAK3JAK1JAK2TYK2LRRK2
SCHEMBL22544566 0.80 JAK3 (0.51) JAK3JAK1JAK2TYK2LRRK2
SCHEMBL31557671 0.80 JAK3 (0.56) JAK3JAK1JAK2TYK2LRRK2
SCHEMBL22097675 0.80 JAK3 (0.56) JAK3JAK1JAK2TYK2LRRK2
SCHEMBL29754172 0.80 LRRK2 (0.52) JAK3JAK1JAK2TYK2LRRK2
SCHEMBL22544819 0.80 LRRK2 (0.52) JAK3JAK1JAK2TYK2LRRK2
SCHEMBL15231456 0.79 MAPK1 (0.64) JAK3JAK1JAK2TYK2MAPK1
SCHEMBL27059237 0.79 JAK3 (0.55) JAK3JAK1JAK2TYK2LRRK2
SCHEMBL27169601 0.76 LRRK2 (0.59) JAK3JAK1JAK2TYK2LRRK2
SCHEMBL28605526 0.76 DDR2 (0.52) JAK3JAK1JAK2TYK2LRRK2

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-2020206588-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2020-10-15 — — WO disclosed
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