SCHEMBL5331684

SCHEMBL5331684

CC(C)[C@@H](C)Nc1c(-c2cc(N3CCCC3=O)ccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
SYK P43405 1/20 0.34
IDH1 O75874 4/20 0.34
PAK1 Q13153 1/20 0.34
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 4/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
MET P08581 1/20 0.32
ROS1 P08922 1/20 0.32
ALK Q9UM73 1/20 0.32
PIP4K2A P48426 1/20 0.32
LMNA P02545 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
SCHEMBL5331688 1.00 LRRK2 (0.34) LRRK2SYKIDH1PAK1FFAR1
SCHEMBL5333342 0.92 SYK (0.33) LRRK2SYKIDH1PAK1FFAR1
SCHEMBL5333336 0.92 SYK (0.33) LRRK2SYKIDH1PAK1FFAR1
SCHEMBL5332468 0.89 FFAR1 (0.35) LRRK2SYKIDH1PAK1FFAR1
SCHEMBL5332464 0.89 FFAR1 (0.35) LRRK2SYKIDH1PAK1FFAR1
SCHEMBL5331252 0.85 PAK1 (0.38) LRRK2SYKIDH1PAK1FFAR1
SCHEMBL5332513 0.85 PAK1 (0.38) LRRK2SYKIDH1PAK1FFAR1
SCHEMBL5324551 0.84 PAK1 (0.33) PAK1FFAR1FFAR4LMNA
SCHEMBL5332660 0.82 FFAR1 (0.35) PAK1FFAR1FFAR4LMNA
SCHEMBL5329515 0.78 AKR1C3 (0.40) PAK1FFAR1FFAR4LMNA

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-2007147829-A1 AZOLOPYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING HARMFUL FUNGI BASF SE (DE) 2007-12-27 WO disclosed