SCHEMBL6004697

SCHEMBL6004697

Oc1cc2ccncc2nc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
CSNK2A2 P19784 2/20 0.45
CSNK2B P67870 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
PDE10A Q9Y233 1/20 0.41
MAPK10 P53779 1/20 0.41
PIP4K2A P48426 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
TNF P01375 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
RPS6KA3 P51812 1/20 0.39

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
SCHEMBL6004704 0.87 DHODH (0.46) DHODHCSNK2A2CSNK2BL3MBTL1MEN1
SCHEMBL1326238 0.80 PDE10A (0.61) DHODHL3MBTL1MEN1KMT2APDE10A
SCHEMBL6005315 0.75 EGFR (0.51) L3MBTL1EGFRPDGFRBPDGFRAKDM4E
SCHEMBL1501735 0.75 AKT1 (0.48) DHODHMEN1KMT2APIP4K2ATNF
SCHEMBL13357728 0.74 KDM4E (0.52) DHODHCSNK2A2CSNK2BL3MBTL1MEN1
SCHEMBL13818403 0.74 KDM4E (0.49) DHODHCSNK2A2CSNK2BL3MBTL1MEN1
SCHEMBL28149552 0.72 DAO (0.42) EGFRPDGFRBPDGFRAMAPK10KDM4E
SCHEMBL6004354 0.72 HPGD (0.58) EGFRPDGFRBPDGFRAPDE10AMAPK10
SCHEMBL9151290 0.70 PDGFRB (0.66) EGFRPDGFRBPDGFRAMAPK10KDM4E
SCHEMBL27656250 0.69 CYP11B1 (0.57) DHODHMEN1KMT2APDE10AKDM4E

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