SCHEMBL5100115

SCHEMBL5100115

N#CCc1nc(NCCc2cccc(F)c2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
IRAK4 Q9NWZ3 4/20 0.41
CASP6 P55212 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
CDK1 P06493 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 2/20 0.37
GBA1 P04062 1/20 0.37
THRB P10828 1/20 0.36
PRKCQ Q04759 1/20 0.36
ILK Q13418 1/20 0.35
AGPAT2 O15120 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5596244 0.90 CDK1 (0.43) PTGS1PTGS2MAPK8MAPK9MAPK10
SCHEMBL5138885 0.89 CSNK1D (0.41) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL5110395 0.86 ALDH1A1 (0.46) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL17709604 0.85 MAPK10 (0.56) MAPK8MAPK9MAPK10IRAK4NPC1
SCHEMBL5103181 0.84 ALDH1A1 (0.43) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL5096401 0.84 ILK (0.48) MAPK8MAPK9MAPK10IRAK4NPC1
SCHEMBL5103578 0.82 SMN1; SMN2 (0.46) IRAK4NPC1RAB9ACDK1KDR
SCHEMBL5596497 0.82 KDM4E (0.42) MAPK9MAPK10IRAK4NPC1RAB9A
SCHEMBL5597099 0.78 PTGS1 (0.46) PTGS1PTGS2MAPK8MAPK9MAPK10
SCHEMBL5596747 0.77 CDK1 (0.35) MAPK8MAPK9MAPK10IRAK4CASP6

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
US-7470686-B2 Method of inhibiting the expression and/or the activity of JNK LABORATOIRES SERONO SA (CH) 2008-12-30 US claimed