SCHEMBL20063997

SCHEMBL20063997

N#Cc1ccnc(N2CC(NC=O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
PANK3 Q9H999 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
HCRTR1 O43613 10/20 0.39
HCRTR2 O43614 10/20 0.39
HTR7 P34969 1/20 0.39
CCR2 P41597 1/20 0.38
CHRM4 P08173 1/20 0.38
CNR2 P34972 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL30939096 0.77 MALT1 (0.43) USP30PANK3MALT1HRH3JAK2
SCHEMBL20064025 0.77 HRH3 (0.42) USP30PANK3MALT1HRH3JAK2
SCHEMBL19689542 0.77 HRH3 (0.45) USP30PANK3MALT1HRH3JAK2
SCHEMBL31472937 0.77 HRH3 (0.45) USP30PANK3MALT1HRH3JAK2
SCHEMBL20064053 0.74 USP30 (0.46) USP30CHRM4
SCHEMBL27055566 0.73 CHRNB2 (0.43) USP30HRH3JAK2JAK1TYK2
SCHEMBL22637164 0.73 MAP3K12 (0.49) USP30PANK3HRH3JAK2JAK1
SCHEMBL19689490 0.72 PANK3 (0.44) USP30PANK3MALT1HRH3HCRTR1
SCHEMBL20064451 0.71 PANK3 (0.49) USP30PANK3MALT1HRH3HCRTR1
SCHEMBL31472951 0.71 CNR2 (0.51) USP30PANK3MALT1HRH3HCRTR1

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-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed