SCHEMBL13667474

SCHEMBL13667474

Cc1ncc(C(N)=O)c(CC2CCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.54
JAK3 P52333 7/20 0.41
JAK2 O60674 5/20 0.41
JAK1 P23458 4/20 0.41
SYK P43405 5/20 0.39
CD38 P28907 1/20 0.37
PARP10 Q53GL7 3/20 0.37
PARP15 Q460N3 2/20 0.37
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 1/20 0.36
AURKB Q96GD4 1/20 0.36
NNMT P40261 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL1015464 0.87 HSD11B1 (0.55) HSD11B1MAPK8
SCHEMBL1018098 0.83 HSD11B1 (0.54) HSD11B1JAK3JAK1
SCHEMBL1016192 0.81 HSD11B1 (0.53) HSD11B1
SCHEMBL1014864 0.77 HSD11B1 (0.53) HSD11B1
SCHEMBL14667326 0.75 HSD11B1 (0.47) HSD11B1JAK3JAK1MAPK8MAPK9
SCHEMBL14667125 0.74 MAPK8 (0.64) SYKMAPK8MAPK9
SCHEMBL14667123 0.72 JAK3 (0.40) JAK3JAK2JAK1SYK
SCHEMBL14667158 0.72 MAPK8 (0.51) SYKMAPK8MAPK9
SCHEMBL6195932 0.71 PARP10 (0.41) CD38PARP10PARP15
SCHEMBL1014981 0.71 HSD11B1 (1.00) HSD11B1

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-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed