SCHEMBL3397543

SCHEMBL3397543

Cc1cccc(-c2cnnc(N)n2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 7/20 0.54
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
TLR8 Q9NR97 1/20 0.41
FGFR1 P11362 2/20 0.38
JAK3 P52333 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38

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
SCHEMBL13425393 0.86 CYP11B2 (0.47) NUDT1ADORA2AADORA1TLR8JAK3
SCHEMBL3398225 0.82 ADORA2A (0.49) NUDT1ADORA2AADORA1TLR8FGFR1
SCHEMBL13425671 0.75 ATR (0.46) ADORA2AADORA1TLR8CDC7CDK2
SCHEMBL18672504 0.75 NUDT1 (0.68) NUDT1ADORA2ATLR8FGFR1JAK3
SCHEMBL31155969 0.75 NUDT1 (0.48) NUDT1TLR8FGFR1JAK3CDC7
SCHEMBL20619965 0.75 NUDT1 (0.68) NUDT1TLR8FGFR1JAK3CDC7
SCHEMBL27208074 0.74 CNR2 (0.40) NUDT1TLR8CNR2CYP11B2PIK3CD
SCHEMBL3395606 0.73 ADORA2A (0.44) ADORA2AADORA1TLR8FGFR1
SCHEMBL3398943 0.73 ADORA2A (0.44) ADORA2AADORA1TLR8
SCHEMBL2324805 0.72 MPL (0.50) ADORA2AADORA1MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed