SCHEMBL3715751

SCHEMBL3715751

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CNR2 P34972 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL3713447 0.86 LRRK2 (0.38) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL3715755 0.80 GSK3B (0.32)
SCHEMBL27844380 0.79
SCHEMBL3712173 0.74 LMNA (0.49) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL15163200 0.72 CDK4 (0.46) CNR2
SCHEMBL14842103 0.71 ALDH1A1 (0.41) KDM4E
SCHEMBL30955629 0.70 LRRK2 (0.38)
SCHEMBL24151605 0.68 MCL1 (0.39) PDE4BPDE4D
SCHEMBL25194791 0.67 DGAT1 (0.42)
SCHEMBL25559827 0.66 ABL1 (0.31)

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