SCHEMBL8622233

SCHEMBL8622233

O=c1ncc2ccc(F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.50
DDO Q99489 1/20 0.50
KDM4E B2RXH2 1/20 0.46
AKR1B1 P15121 1/20 0.41
AHR P35869 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
IDO1 P14902 1/20 0.39
FLT3 P36888 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
FEN1 P39748 1/20 0.37
TYMS P04818 2/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CBFB Q13951 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
SCHEMBL30774289 1.00 DAO (0.50) DAODDOKDM4EAKR1B1AHR
SCHEMBL6883082 0.85 DAO (0.50) DAODDOKDM4EAHRPDE3B
SCHEMBL27885715 0.78 METAP2 (0.52) AHRTYMSMETAP2
SCHEMBL2507129 0.78 NOS1 (0.52) DAOKDM4EAKR1B1AHR
SCHEMBL1785835 0.78 CA2 (0.45) KDM4EPDE3BPDE3AFLT3TYMS
SCHEMBL2619123 0.78 DAO (0.50) DAODDOKDM4EPDE3BPDE3A
SCHEMBL8016146 0.78 MAPT (0.52) KDM4ETYMS
SCHEMBL30774337 0.78 DAO (0.50) DAODDOKDM4EPDE3BPDE3A
SCHEMBL25327113 0.75 CYP2A6 (0.47) KDM4EPDE3BPDE3A
SCHEMBL13153055 0.74 DAO (0.54) DAOKDM4ETYMS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516889-B Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD 2013-07-31 CN disclosed
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 CN disclosed
US-5849861-A Polyquinazolines and methods for their preparation HITACHI CHEMICAL CO., LTD. (JP) 1998-12-15 US disclosed
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 US disclosed