SCHEMBL5332660

SCHEMBL5332660

O=C1CCCN1c1ccc(Cl)c(-c2c(Cl)nc3ncnn3c2NCC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.35
FFAR4 Q5NUL3 7/20 0.35
EGLN2 Q96KS0 2/20 0.34
PAK1 Q13153 1/20 0.33
PDK2 Q15119 1/20 0.33
MBOAT4 Q96T53 3/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
LMNA P02545 1/20 0.31
ELOVL6 Q9H5J4 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
SCHEMBL5324551 0.88 PAK1 (0.33) FFAR1FFAR4EGLN2PAK1MBOAT4
SCHEMBL5332468 0.85 FFAR1 (0.35) FFAR1FFAR4EGLN2PAK1PDK2
SCHEMBL5332464 0.85 FFAR1 (0.35) FFAR1FFAR4EGLN2PAK1PDK2
SCHEMBL5333336 0.82 SYK (0.33) FFAR1FFAR4PAK1LMNA
SCHEMBL5333342 0.82 SYK (0.33) FFAR1FFAR4PAK1LMNA
SCHEMBL5331684 0.82 LRRK2 (0.34) FFAR1FFAR4PAK1LMNA
SCHEMBL5331688 0.82 LRRK2 (0.34) FFAR1FFAR4PAK1LMNA
SCHEMBL4811375 0.77 ALDH1A1 (0.39) EGLN2MBOAT4LMNA
SCHEMBL5329515 0.76 AKR1C3 (0.40) FFAR1FFAR4EGLN2PAK1LMNA
SCHEMBL5332513 0.76 PAK1 (0.38) FFAR1FFAR4PAK1PDK2LMNA

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