SCHEMBL13635758

SCHEMBL13635758

COc1c(NC(=O)CC2CC=CS2)ccc2[nH]nc(-c3cc4ccccc4s3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.40
TNIK Q9UKE5 5/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
ITK Q08881 1/20 0.35
PIP5K1C O60331 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
NTRK1 P04629 1/20 0.32
FLT3 P36888 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TNFRSF1A P19438 2/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2867192 0.82 TNIK (0.41) MAPK10TNIKSIRT2SIRT1ITK
SCHEMBL2867309 0.82 TNIK (0.44) MAPK10TNIKSIRT2SIRT1ITK
SCHEMBL2865310 0.82 TNIK (0.40) MAPK10TNIKSIRT2SIRT1ITK
SCHEMBL4335786 0.81 MAPK10 (0.52) MAPK10TNIKSIRT2SIRT1ITK
SCHEMBL2871502 0.80 SMN1; SMN2 (0.46) MAPK10NTRK1NTRK3MAPTALDH1A1
SCHEMBL4345589 0.77 MAPK10 (0.44) MAPK10TNIKSIRT2SIRT1PIP5K1C
SCHEMBL4340656 0.77 MAPK10 (0.44) MAPK10TNIKSIRT2SIRT1PIP5K1C
SCHEMBL4337647 0.77 STK33 (0.44) MAPK10TNIKMAPTALDH1A1SMN1; SMN2
SCHEMBL4342242 0.76 HSD17B10 (0.43) MAPK10TNIKITKMAPTALDH1A1
SCHEMBL2862889 0.75 TNIK (0.48) MAPK10TNIKJAK2JAK3MAPKAPK2

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
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed