SCHEMBL6004845

SCHEMBL6004845

Oc1cc2cccnc2nc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.52
KDM4E B2RXH2 2/20 0.40
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PIK3CA P42336 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPK10 P53779 1/20 0.38
TOP1 P11387 2/20 0.38
ALOX5 P09917 1/20 0.36
MMP2 P08253 1/20 0.36
DAO P14920 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL1692394 0.85 DHODH (0.44) KDM4EALDH1A1HPGDMMP2DAO
SCHEMBL6004302 0.84 KDM4E (0.43) MAPK14KDM4ERIPK1ALDH1A1HPGD
SCHEMBL3892242 0.84 COMT (0.43) KDM4ERIPK1ALDH1A1HPGDKMT2A
SCHEMBL6004749 0.84 CYP1A2 (0.41) MAPK14KDM4ERIPK1ALDH1A1HPGD
SCHEMBL6004768 0.84 KDM4E (0.51) MAPK14KDM4EALDH1A1HPGDMAPK10
SCHEMBL2302926 0.81 MAPK14 (0.52) MAPK14ALDH1A1HPGDPIK3CAMAPK10
SCHEMBL6004176 0.81 SLC22A12 (0.41)
SCHEMBL6004865 0.78 L3MBTL1 (0.54) KDM4EALDH1A1DAONPC1RAB9A
SCHEMBL30060806 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL3891471 0.76 MAPK14 (0.53) MAPK14KDM4EALDH1A1HPGDMAPK10

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed