SCHEMBL2187983

SCHEMBL2187983

Cn1cnc(-c2nc(N)c3ccsc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.56
ADORA1 P30542 8/20 0.56
NTRK1 P04629 3/20 0.41
NTRK2 Q16620 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
LRRK2 Q5S007 2/20 0.41
LTK P29376 2/20 0.41
TYRO3 Q06418 2/20 0.41
CHEK1 O14757 2/20 0.41
AURKA O14965 2/20 0.41
DAPK3 O43293 2/20 0.41
JAK2 O60674 2/20 0.41
ABL1 P00519 2/20 0.41
CSF1R P07333 2/20 0.41
RET P07949 2/20 0.41
IGF1R P08069 2/20 0.41
PDGFRB P09619 2/20 0.41
PIM1 P11309 2/20 0.41
FGFR1 P11362 2/20 0.41
PRKACA P17612 2/20 0.41

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
SCHEMBL30095684 0.75 PDE7A (0.41) ADORA2AADORA1FYN
SCHEMBL2188560 0.74 ADORA1 (0.58) ADORA2AADORA1CYP1A2
SCHEMBL20665484 0.72 ADORA2A (0.63) ADORA2AADORA1NTRK1NTRK2CLK4
SCHEMBL2190316 0.72 ADORA1 (0.53) ADORA2AADORA1LRRK2JAK2JAK3
SCHEMBL2184224 0.72 ADORA2A (0.47) ADORA2AADORA1NTRK1LRRK2AURKA
SCHEMBL3301792 0.72 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL2185605 0.71 ADORA2A (0.46) ADORA2AADORA1LRRK2JAK2JAK3
SCHEMBL27637072 0.69 ADORA2A (0.61) ADORA2AADORA1NTRK1NTRK2CLK4
SCHEMBL2191285 0.69 ADORA1 (0.47) ADORA2AADORA1LRRK2FGFR1KDR
SCHEMBL2368763 0.68 ADORA2A (1.00) ADORA2AADORA1NTRK1NTRK2CLK4

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-2346859-A1 HETEROCYCLIC JAK KINASE INHIBITORS AstraZeneca AB (SE) 2011-07-27 EP disclosed