SCHEMBL9680772

SCHEMBL9680772

N#Cc1c(-c2ccsc2)nsc1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.55
ADORA2A P29274 2/20 0.55
MAPK8 P45983 2/20 0.45
MAPK9 P45984 2/20 0.45
FLT4 P35916 1/20 0.45
CSNK2A1 P68400 1/20 0.45
DYRK1A Q13627 1/20 0.45
AURKB Q96GD4 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
RET P07949 9/20 0.42
PDE3A Q14432 1/20 0.38
ABL1 P00519 2/20 0.36
ALK Q9UM73 2/20 0.36
MAPK10 P53779 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
KCNH2 Q12809 1/20 0.35
TDO2 P48775 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
SCHEMBL5150675 0.78 ADORA1 (0.56) ADORA1ADORA2A
SCHEMBL14697371 0.75 ADORA1 (0.53) ADORA1ADORA2A
SCHEMBL10707090 0.75 NPSR1 (0.43) ADORA1ADORA2A
SCHEMBL10611187 0.72 ADORA1 (0.61) ADORA1ADORA2A
SCHEMBL9649847 0.72 ADORA2A (0.57) ADORA1ADORA2ADYRK1A
SCHEMBL9350241 0.71 ADORA2A (0.54) ADORA1ADORA2AMAPK10
SCHEMBL4468508 0.70 ALDH1A1 (0.46) ADORA1
SCHEMBL8309258 0.68 ADORA1 (0.48) ADORA1ADORA2AMAPK8MAPK9FLT4
SCHEMBL18513465 0.68 KDR (0.66) ADORA1ADORA2AMAPK8MAPK9MAPK10
SCHEMBL30280660 0.68 LRRK2 (0.48) ADORA1ADORA2AMAPK8MAPK9FLT4

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
US-5132412-A Textile fibers BASF AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed