SCHEMBL5566249

SCHEMBL5566249

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.45
MAPK9 P45984 2/20 0.45
MAPK8 P45983 1/20 0.45
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
MKNK1 Q9BUB5 3/20 0.34
MKNK2 Q9HBH9 3/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
OGA O60502 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
SCHEMBL6017675 0.94 MAPK10 (0.44) MAPK10MAPK9MAPK8INSRIGF1R
SCHEMBL2878601 0.70 MAPK10 (0.52) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL7707445 0.67 MAPK10 (0.33) MAPK10MAPK9MAPK8
SCHEMBL7707034 0.67 MAPK10 (0.45) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL186278 0.63 MAPK10 (1.00) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL21067982 0.63 MAPK10 (1.00) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL29432586 0.63 MAPK10 (1.00) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL6017572 0.62 MAPK9 (0.40) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL17709604 0.62 MAPK10 (0.56) MAPK10MAPK9MAPK8KDRMKNK1
SCHEMBL3562691 0.60 MAPK10 (0.52) MAPK10MAPK9MAPK8INSRIGF1R

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-1850846-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN Laboratoires Serono SA (CH) 2007-11-07 EP claimed
WO-2005097116-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 WO claimed