SCHEMBL4258084

SCHEMBL4258084

CC(Oc1nc(N)nc2[nH]cc(-c3ccccc3)c12)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.47
STK3 Q13188 5/20 0.46
CDC7 O00311 3/20 0.46
MARK3 P27448 3/20 0.46
ROS1 P08922 2/20 0.46
FLT3 P36888 2/20 0.46
MELK Q14680 2/20 0.46
KIT P10721 2/20 0.46
CDK8 P49336 1/20 0.46
MAP2K1 Q02750 1/20 0.46
MAP3K10 Q02779 1/20 0.46
MARK4 Q96L34 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
SIK2 Q9H0K1 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
STK4 Q13043 2/20 0.41
ITK Q08881 5/20 0.40
DYRK1A Q13627 3/20 0.40
PLK4 O00444 2/20 0.40
CHEK1 O14757 2/20 0.40

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
SCHEMBL4258091 0.80 CHUK (0.47) LRRK2STK3CDC7MARK3ROS1
SCHEMBL22609952 0.70 CHUK (0.49) LRRK2STK3CDC7MARK3ROS1
SCHEMBL25157557 0.69 DYRK1A (0.39) STK3CDC7MARK3ROS1FLT3
SCHEMBL4564978 0.69 ALDH1A1 (0.53) MAPK1ALDH1A1SMN1; SMN2
SCHEMBL28520194 0.69 CHUK (0.65) LRRK2CDK8MAP2K1CAMK2ADYRK1A
SCHEMBL13539589 0.69 CHUK (0.50) LRRK2STK3CDC7MARK3ROS1
SCHEMBL4907346 0.67 ADORA2A (0.41) ALDH1A1
SCHEMBL15882322 0.66 DYRK1A (0.73) DYRK1APDPK1NTRK1PIM1CDK2
SCHEMBL4252639 0.65 LRRK2 (0.43) LRRK2STK3CDC7MARK3ROS1
SCHEMBL15401270 0.65 LRRK2 (1.00) LRRK2STK3CDC7MARK3ROS1

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO claimed