SCHEMBL15920643

SCHEMBL15920643

CN1CCN(Cc2ccc(COc3nccc(C(C#N)c4nc5cccnc5s4)n3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 9/20 0.66
MAPK10 P53779 9/20 0.66
MAPK8 P45983 2/20 0.66
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CHKA P35790 1/20 0.38
LTA4H P09960 2/20 0.37
TBK1 Q9UHD2 2/20 0.36
IKBKE Q14164 1/20 0.36
SSTR5 P35346 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL15920601 0.91 MAPK10 (0.65) MAPK9MAPK10MAPK8LTA4HHRH3
SCHEMBL15920603 0.91 MAPK9 (0.80) MAPK9MAPK10MAPK8TP53LTA4H
SCHEMBL15920592 0.90 MAPK9 (0.61) MAPK9MAPK10MAPK8LTA4HTBK1
SCHEMBL3748955 0.90 MAPK10 (0.81) MAPK9MAPK10MAPK8TP53RAB9A
SCHEMBL15920444 0.89 MAPK9 (0.61) MAPK9MAPK10MAPK8LTA4HTBK1
SCHEMBL3740598 0.83 MAPK10 (0.85) MAPK9MAPK10MAPK8TP53RAB9A
SCHEMBL3753376 0.83 MAPK10 (0.70) MAPK9MAPK10MAPK8TP53RAB9A
SCHEMBL4200034 0.81 MAPK10 (0.84) MAPK9MAPK10MAPK8TP53RAB9A
SCHEMBL15920645 0.81 MAPK10 (0.61) MAPK9MAPK10MAPK8NPC1
SCHEMBL3746727 0.80 MAPK10 (0.79) MAPK9MAPK10MAPK8RAB9ANPC1

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-2014114186-A1 JNK INHIBITORS 山东亨利医药科技有限责任公司 (CN) 2014-07-31 WO disclosed