SCHEMBL29953748

SCHEMBL29953748

O=Cc1c[nH]c2nccc(-c3ccccc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.57
KMT2A Q03164 1/20 0.50
CDK8 P49336 4/20 0.46
JAK2 O60674 4/20 0.46
MAP2K1 Q02750 3/20 0.46
CAMK2A Q9UQM7 3/20 0.46
PRKD3 O94806 3/20 0.46
MAP4K4 O95819 3/20 0.46
PRKACA P17612 3/20 0.46
CLK2 P49760 3/20 0.46
CDK5 Q00535 3/20 0.46
MAP4K2 Q12851 3/20 0.46
ROCK1 Q13464 3/20 0.46
DYRK1A Q13627 3/20 0.46
NTRK2 Q16620 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
PAK4 O96013 2/20 0.46
LTK P29376 2/20 0.46
MAP2K2 P36507 2/20 0.46
MAPK8 P45983 2/20 0.46

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
SCHEMBL29952435 0.89 LRRK2 (0.51) LRRK2KMT2ACDK8JAK2MAP2K1
SCHEMBL856933 0.81 LRRK2 (0.47) LRRK2KMT2ACDK8MAP2K1CAMK2A
SCHEMBL3227992 0.81 MAPK8 (0.65) LRRK2KMT2ACDK8MAP2K1CAMK2A
SCHEMBL5805570 0.79 MAPK1 (0.45) LRRK2KMT2ACDK8MAP2K1CAMK2A
SCHEMBL29957196 0.79 KMT2A (0.56) LRRK2KMT2ACDK8JAK2MAP2K1
SCHEMBL4790877 0.76 LRRK2 (0.61) LRRK2CDK8JAK2MAP2K1CAMK2A
SCHEMBL4790325 0.76 LRRK2 (0.61) LRRK2CDK8JAK2MAP2K1CAMK2A
SCHEMBL14462648 0.76 LRRK2 (0.61) LRRK2CDK8JAK2MAP2K1CAMK2A
SCHEMBL29957182 0.76 LRRK2 (0.57) LRRK2CDK8JAK2MAP2K1CAMK2A
SCHEMBL4017811 0.75 GRM5 (0.41) LRRK2KMT2AJAK2MAP4K4PRKACA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed