SCHEMBL2331664

SCHEMBL2331664

CC(=O)c1ccc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccc(F)cc4)o3)n2)s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.34
AURKA O14965 2/20 0.33
FLT3 P36888 2/20 0.33
AURKB Q96GD4 2/20 0.33
IKBKB O14920 4/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NQO2 P16083 1/20 0.31
S1PR1 P21453 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
SCHEMBL2324582 0.92 IKBKB (0.39) IKBKB
SCHEMBL2327822 0.90 TRPM8 (0.36) IKBKBNQO2
SCHEMBL2331129 0.85 RXRA (0.36) IKBKBHDAC4HDAC1HDAC6
SCHEMBL2330747 0.84 IKBKB (0.44) IKBKB
SCHEMBL2332145 0.83 MMP1 (0.38) MAPK14IKBKB
SCHEMBL2324316 0.83 IKBKB (0.47) IKBKBHDAC6
SCHEMBL2332003 0.83 FYN (0.39) IKBKB
SCHEMBL2329098 0.83 MAPK14 (0.34) MAPK14IKBKB
SCHEMBL2330683 0.83 ADORA2A (0.38) IKBKB
SCHEMBL1704482 0.80 MAPK14 (0.34) MAPK14IKBKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed