SCHEMBL3713447

SCHEMBL3713447

NC(=O)CCn1cc(Cl)c2cnc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.38
LMNA P02545 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3715751 0.86 LMNA (0.34) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL31177281 0.78 LRRK2 (0.40) LRRK2PDE4D
SCHEMBL3713449 0.78 LRRK2 (0.40) LRRK2
SCHEMBL3712173 0.76 LMNA (0.49) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL21087557 0.76 LRRK2 (0.53) LRRK2
SCHEMBL3713882 0.74 CDK4 (0.48) LRRK2
SCHEMBL1284361 0.71 TBK1 (0.40) LRRK2
SCHEMBL21087554 0.71 LRRK2 (0.40) LRRK2
SCHEMBL24151605 0.70 MCL1 (0.39) PDE4BPDE4D
SCHEMBL3721125 0.70 WEE1 (0.46) LRRK2LMNA

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
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO disclosed