SCHEMBL9021289

SCHEMBL9021289

CCCCn1c(N)cc(N)nc1=S

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.42
CDK9 P50750 1/20 0.42
TLR8 Q9NR97 8/20 0.41
NOS2 P35228 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CDC7 O00311 1/20 0.34

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
SCHEMBL9021593 0.89 POLB (0.38) DYRK1ACDK9NOS2ADORA2AADORA2B
SCHEMBL7112477 0.82 NOS2 (0.34) NOS2ADORA2AADORA2BADORA1GAA
SCHEMBL8871239 0.71 NOS3 (0.33) DYRK1ACDK9NOS2
SCHEMBL9021891 0.70 ADORA3 (0.36) ADORA2AADORA2BADORA1GAATSHR
SCHEMBL3243411 0.69 ALDH1A1 (0.41) TLR8GAATSHRALDH1A1HPGD
SCHEMBL8871376 0.65 NOS3 (0.30) NOS2
SCHEMBL4138900 0.64 HPGD (0.42) ADORA2ATSHRALDH1A1HPGD
SCHEMBL2336285 0.64 ALDH1A1 (0.45) ADORA2AADORA2BTSHRALDH1A1HPGD
SCHEMBL4148123 0.63 ADRA2A (0.42) TLR8ADORA2BTSHRALDH1A1HPGD
SCHEMBL9703916 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397511-B1 Novel cephalosporin compounds and processes for preparation thereof LUCKY LTD (KR) 1996-09-04 EP disclosed
US-5202315-A Antiboiotic LUCKY, LTD. (KR) 1993-04-13 US disclosed
WO-1992008721-A1 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF LUCKY, LTD. (KR) 1992-05-29 WO disclosed
EP-0397511-A2 Novel cephalosporin compounds and processes for preparation thereof LUCKY, LTD. (KR) 1990-11-14 EP disclosed