SCHEMBL7706611

SCHEMBL7706611

COc1cncc(-c2ccc3c(c2)C(/N=C(/N)N(C)C=O)c2cc(F)ccc2O3)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP11B1 P15538 8/20 0.36
CYP11B2 P19099 8/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALOX5AP P20292 1/20 0.34
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
BACE1 P56817 4/20 0.33
MAP4K4 O95819 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2C19 P33261 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
GRM5 P41594 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL7704729 0.89 MKNK1 (0.39) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL7709563 0.88 MKNK1 (0.35) MKNK1MKNK2CYP11B1CYP11B2BACE1
SCHEMBL7711197 0.85 MKNK1 (0.37) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL7712995 0.84 BACE1 (0.41) CYP11B1CYP11B2CYP1A2CYP3A4BACE1
SCHEMBL7710882 0.81 CCNC (0.38) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL7705408 0.78 BACE1 (0.35) BACE1KCNH2
SCHEMBL7708344 0.77 ERN1 (0.32) BACE1KCNH2
SCHEMBL7705125 0.76 MKNK1 (0.32) MKNK1MKNK2BACE1
SCHEMBL7715200 0.75 MKNK1 (0.37) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL7705409 0.75 BACE1 (0.45) BACE1KCNH2

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed