SCHEMBL14025152

SCHEMBL14025152

Nc1ccc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
TRAP1 Q12931 5/20 0.39
HSP90B1 P14625 3/20 0.39
BIRC2 Q13490 1/20 0.39
TLR7 Q9NYK1 3/20 0.39
USP1 O94782 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 2/20 0.36
PNP P00491 1/20 0.36
ACP1 P24666 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
SCHEMBL12371690 0.78 BIRC2 (0.42) JAK2JAK3BIRC2TLR7USP1
SCHEMBL2270517 0.72 JAK2 (0.47) JAK2JAK3TLR7USP1ADORA3
SCHEMBL2269378 0.71 BIRC2 (0.39) JAK2JAK3BIRC2USP1
SCHEMBL2274336 0.71 JAK2 (0.39) JAK2JAK3USP1ALDH1A1
SCHEMBL2269368 0.71 JAK2 (0.39) JAK2JAK3USP1ALDH1A1
SCHEMBL2269372 0.71 BIRC2 (0.39) JAK2JAK3BIRC2USP1
SCHEMBL2274339 0.71 BIRC2 (0.39) JAK2JAK3BIRC2USP1
SCHEMBL13608332 0.71 JAK2 (0.46) JAK2JAK3TLR7USP1ADORA3
SCHEMBL13608364 0.69 JAK2 (0.46) JAK2JAK3TLR7USP1ADORA3
SCHEMBL12371651 0.67 JAK2 (0.45) JAK2JAK3TLR7USP1ADORA3

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-2008143674-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2008-11-27 WO disclosed