SCHEMBL13635937

SCHEMBL13635937

COc1c(C(=O)NCC2=COCC2)ccc2[nH]nc(-c3cc4ccccc4s3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.40
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CD274 Q9NZQ7 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DRD3 P35462 5/20 0.33
DRD2 P14416 3/20 0.33
DRD1 P21728 3/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR2B P41595 1/20 0.33
LMNA P02545 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
SCHEMBL13635804 0.85 KDR (0.37) JAK2JAK3DRD3DRD2LMNA
SCHEMBL4334979 0.85 MAPT (0.44) MAPK10LMNA
SCHEMBL4332224 0.83 MAPT (0.46)
SCHEMBL4329228 0.83 HPGD (0.44) MAPK10JAK2JAK3
SCHEMBL4333960 0.83 MAPK10 (0.37) MAPK10JAK2JAK3MAPKAPK2DRD3
SCHEMBL4334972 0.83 JAK2 (0.38) MAPK10JAK2JAK3MAPKAPK2TNIK
SCHEMBL2865451 0.82 MAPK10 (0.42) MAPK10JAK2JAK3SIRT2SIRT1
SCHEMBL2867630 0.82 SMN1; SMN2 (0.51) MAPKAPK2FLT3
SCHEMBL4343378 0.81 KMT2A (0.47)
SCHEMBL4334929 0.80 LMNA (0.41) MAPK10JAK2JAK3SIRT2SIRT1

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