SCHEMBL5331252

SCHEMBL5331252

C[C@@H](Nc1c(-c2ccc(N3CCCC3=O)cc2Cl)c(Cl)nc2ncnn12)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.38
SYK P43405 1/20 0.33
LRRK2 Q5S007 1/20 0.33
FFAR4 Q5NUL3 6/20 0.33
FFAR1 O14842 5/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
IDH1 O75874 1/20 0.31
MET P08581 1/20 0.31
ROS1 P08922 1/20 0.31
ALK Q9UM73 1/20 0.31
PDK2 Q15119 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
PIP4K2A P48426 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL5332513 1.00 PAK1 (0.38) PAK1SYKLRRK2FFAR4FFAR1
SCHEMBL5333336 0.93 SYK (0.33) PAK1SYKLRRK2FFAR4FFAR1
SCHEMBL5333342 0.93 SYK (0.33) PAK1SYKLRRK2FFAR4FFAR1
SCHEMBL5332464 0.86 FFAR1 (0.35) PAK1SYKLRRK2FFAR4FFAR1
SCHEMBL5332468 0.86 FFAR1 (0.35) PAK1SYKLRRK2FFAR4FFAR1
SCHEMBL5331688 0.85 LRRK2 (0.34) PAK1SYKLRRK2FFAR4FFAR1
SCHEMBL5331684 0.85 LRRK2 (0.34) PAK1SYKLRRK2FFAR4FFAR1
SCHEMBL5332660 0.76 FFAR1 (0.35) PAK1FFAR4FFAR1PDK2LMNA
SCHEMBL5324551 0.76 PAK1 (0.33) PAK1FFAR4FFAR1LMNA
SCHEMBL5329170 0.74

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007147829-A1 AZOLOPYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING HARMFUL FUNGI BASF SE (DE) 2007-12-27 WO disclosed
EP-1740553-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS AstraZeneca AB (SE) 2007-01-10 EP disclosed
WO-2005100325-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS ASTRAZENECA AB (SE) 2005-10-27 WO disclosed