SCHEMBL27912569

SCHEMBL27912569

O=C(O)CNS(=O)(=O)c1ccc(CNNc2nc(NC3CCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ JAK3 P52333 13/20 0.37
▸ BTK Q06187 11/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36

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
SCHEMBL27930638 0.86 JAK3 (0.38) JAK3BTKKDM4ELRRK2
SCHEMBL27912568 0.82 MMP2 (0.38) PAK4IRAK4JAK3BTK
SCHEMBL1068268 0.78 SYK (0.50) PAK4IRAK4JAK3BTK
SCHEMBL12085438 0.74 SYK (0.57) PAK4IRAK4JAK3BTK
SCHEMBL1018471 0.70 IRAK4 (0.55) PAK4IRAK4JAK3BTK
SCHEMBL12085463 0.68 CCNT1 (0.59) PAK4IRAK4JAK3BTK
SCHEMBL14666824 0.68 PAK4 (0.55) PAK4IRAK4JAK3BTK
SCHEMBL12085425 0.67 MERTK (0.66) PAK4IRAK4JAK3BTKLRRK2
SCHEMBL12085309 0.66 IRAK4 (0.59) PAK4IRAK4JAK3BTK
SCHEMBL14666821 0.66 SYK (0.54) PAK4IRAK4JAK3BTKLRRK2

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
CN-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 — — CN disclosed
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