SCHEMBL6017675

SCHEMBL6017675

CCN(CC)CCNc1ncc(Br)c(C(C#N)C2C=CN=C(NCCc3cccnc3)[N+]2(c2nc3ccccc3s2)c2nc3ccccc3s2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
MKNK1 Q9BUB5 3/20 0.34
MKNK2 Q9HBH9 3/20 0.34
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5566249 0.94 MAPK10 (0.45) MAPK10MAPK8MAPK9INSRIGF1R
SCHEMBL7707034 0.66 MAPK10 (0.45) MAPK10MAPK8MAPK9NPC1RAB9A
SCHEMBL2878601 0.64 MAPK10 (0.52) MAPK10MAPK8MAPK9MKNK1MKNK2
SCHEMBL7707445 0.62 MAPK10 (0.33) MAPK10MAPK8MAPK9
SCHEMBL21067982 0.62 MAPK10 (1.00) MAPK10MAPK8MAPK9MKNK1MKNK2
SCHEMBL29432586 0.62 MAPK10 (1.00) MAPK10MAPK8MAPK9MKNK1MKNK2
SCHEMBL186278 0.62 MAPK10 (1.00) MAPK10MAPK8MAPK9MKNK1MKNK2
SCHEMBL6017572 0.61 MAPK9 (0.40) MAPK10MAPK8MAPK9MKNK1MKNK2
SCHEMBL17709604 0.60 MAPK10 (0.56) MAPK10MAPK8MAPK9KDRMKNK1
SCHEMBL5617848 0.59 MAPK8 (0.49) MAPK10MAPK8MAPK9INSRIGF1R

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-1696909-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-09-06 EP disclosed
WO-2005025567-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO disclosed