SCHEMBL18855804

SCHEMBL18855804

CONc1cnc2[nH]ccc2c1N[C@@H]1CC[C@H](NS(=O)(=O)C2CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.46
JAK2 O60674 10/20 0.46
TYK2 P29597 3/20 0.46
JAK3 P52333 10/20 0.43
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
PAK4 O96013 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
MARK3 P27448 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39
PRKCQ Q04759 1/20 0.39
MST1R Q04912 1/20 0.39
TNK2 Q07912 1/20 0.39

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
SCHEMBL18855883 0.79 JAK1 (0.59) JAK1JAK2JAK3
SCHEMBL18855969 0.70 PRKCI (0.41) JAK1JAK2JAK3AURKAFGFR1
SCHEMBL12555225 0.69 JAK2 (0.48) JAK1JAK2TYK2JAK3AURKA
SCHEMBL4345280 0.67 JAK2 (0.45) JAK1JAK2TYK2JAK3AURKA
SCHEMBL4357267 0.67 JAK2 (0.45) JAK1JAK2TYK2JAK3AURKA
SCHEMBL9991873 0.66 JAK2 (0.49) JAK1JAK2TYK2JAK3AURKA
SCHEMBL18855797 0.66 JAK2 (0.49) JAK1JAK2TYK2JAK3AURKA
SCHEMBL18855410 0.66 PRKCI (0.58) JAK1JAK2AURKAFGFR1KDR
SCHEMBL14697170 0.65 JAK1 (0.55) JAK1JAK2JAK3
SCHEMBL16477537 0.64 JAK1 (0.60) JAK1JAK2TYK2JAK3

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
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed