SCHEMBL5332468

SCHEMBL5332468

CC(Nc1c(-c2cc(N3CCCC3=O)ccc2Cl)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.35
FFAR4 Q5NUL3 7/20 0.35
SYK P43405 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PAK1 Q13153 1/20 0.33
PDK2 Q15119 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
USP1 O94782 1/20 0.31
IDH1 O75874 1/20 0.31
MET P08581 1/20 0.31
ROS1 P08922 1/20 0.31
ALK Q9UM73 1/20 0.31
KIT P10721 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
SCHEMBL5332464 1.00 FFAR1 (0.35) FFAR1FFAR4SYKLRRK2PAK1
SCHEMBL5333342 0.93 SYK (0.33) FFAR1FFAR4SYKLRRK2PAK1
SCHEMBL5333336 0.93 SYK (0.33) FFAR1FFAR4SYKLRRK2PAK1
SCHEMBL5331688 0.89 LRRK2 (0.34) FFAR1FFAR4SYKLRRK2PAK1
SCHEMBL5331684 0.89 LRRK2 (0.34) FFAR1FFAR4SYKLRRK2PAK1
SCHEMBL5331252 0.86 PAK1 (0.38) FFAR1FFAR4SYKLRRK2PAK1
SCHEMBL5332513 0.86 PAK1 (0.38) FFAR1FFAR4SYKLRRK2PAK1
SCHEMBL5332660 0.85 FFAR1 (0.35) FFAR1FFAR4PAK1PDK2EGLN2
SCHEMBL5324551 0.83 PAK1 (0.33) FFAR1FFAR4PAK1EGLN2
SCHEMBL4820872 0.77 ALDH1A1 (0.38) EGLN2IDH1

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