SCHEMBL13635773

SCHEMBL13635773

Bc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.48
ITK Q08881 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
PIP5K1C O60331 1/20 0.39
CNR1 P21554 2/20 0.38
NPC1 O15118 1/20 0.38
DYRK1A Q13627 3/20 0.37
MAPK1 P28482 2/20 0.37
FLT3 P36888 2/20 0.37
NTRK3 Q16288 2/20 0.37
PLK4 O00444 1/20 0.37
PDPK1 O15530 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL2864411 0.87 MAPK10 (0.46) MAPK10ITKSIRT2SIRT1MAPKAPK2
SCHEMBL2865451 0.80 MAPK10 (0.42) MAPK10ITKSIRT2SIRT1PIP5K1C
SCHEMBL4339880 0.77 RAB9A (0.48) MAPK10SIRT2SIRT1NPC1GSK3B
SCHEMBL4334964 0.77 RAB9A (0.48) MAPK10SIRT2SIRT1NPC1GSK3B
SCHEMBL4338881 0.75 KDM4E (0.53) MAPK10NPC1MAPK1KDM4EALDH1A1
SCHEMBL2862938 0.75 MAPK10 (0.50) MAPK10SIRT2SIRT1MAPKAPK2PIP5K1C
SCHEMBL2870547 0.73 RAB9A (0.48) MAPK10SIRT2SIRT1MAPKAPK2PIP5K1C
SCHEMBL2862999 0.71 MAPK10 (0.47) MAPK10SIRT2SIRT1MAPKAPK2PIP5K1C
SCHEMBL4334072 0.71 HPGD (0.47) MAPK10ITKNPC1MAPK1KDM4E
SCHEMBL4341432 0.71 ALDH1A1 (0.47) MAPK10MAPK1NTRK1KDM4EALDH1A1

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