SCHEMBL22908449

SCHEMBL22908449

CCc1cc(-c2ccc(C#N)cn2)cc(CC)c1C1C(=O)CC2(CCN(C(=O)C3CC3)CC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.38
MTOR P42345 8/20 0.38
ALK Q9UM73 2/20 0.36
ENPP2 Q13822 1/20 0.36
ATXN2 Q99700 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
PIK3CD O00329 2/20 0.34
CNR2 P34972 2/20 0.34
KCNK3 O14649 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
P2RX7 Q99572 1/20 0.34
KDM1A O60341 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL22908420 0.95 PIK3CA (0.37) PIK3CAMTORALKENPP2ATXN2
SCHEMBL22908410 0.94 PIK3CA (0.38) PIK3CAMTORALKENPP2ATXN2
SCHEMBL22908411 0.94 PIK3CA (0.39) PIK3CAMTORENPP2ATXN2
SCHEMBL21361291 0.90 FASN (0.37) ALKENPP2ATXN2IRAK4PIK3CD
SCHEMBL22908412 0.86 P2RX7 (0.36) PIK3CAMTORALKENPP2ATXN2
SCHEMBL22908404 0.84 CHEK1 (0.36) PIK3CAMTORENPP2ATXN2IRAK4
SCHEMBL22908399 0.82 PIK3CA (0.41) PIK3CAMTORIRAK4
SCHEMBL29389236 0.82 PIK3CA (0.41) PIK3CAMTORIRAK4
SCHEMBL24120146 0.80 FASN (0.38) ENPP2ATXN2IRAK4TBK1KDM1A
SCHEMBL21361283 0.80 CYP1A2 (0.41) PIK3CAMTORIRAK4

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-2021009048-A1 HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2021-01-21 WO disclosed