SCHEMBL4626686

SCHEMBL4626686

COC(=O)c1cc(-c2ccnn2C)c(CCF)cc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.40
HTR2A P28223 6/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTR2C P28335 3/20 0.37
GLA P06280 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
ABL1 P00519 1/20 0.36
MAPK1 P28482 3/20 0.34

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
SCHEMBL2390111 0.89 ALDH1A1 (0.44) CFTRHTR2AKDM4EALDH1A1GAA
SCHEMBL4627834 0.86 CFTR (0.39) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL2390607 0.80 CFTR (0.42) CFTRHTR2AKDM4EALDH1A1GAA
SCHEMBL2390430 0.80 CFTR (0.60) CFTRHTR2AKDM4EALDH1A1GAA
SCHEMBL2390657 0.79 CFTR (0.42) CFTRHTR2AKDM4EALDH1A1GAA
SCHEMBL2390179 0.79 CFTR (0.51) CFTRHTR2AKDM4EALDH1A1GAA
SCHEMBL2388011 0.78 KDM4E (0.43) CFTRHTR2AKDM4EALDH1A1GAA
SCHEMBL2391628 0.77 CFTR (0.40) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL16197237 0.73 GAA (0.47) CFTRHTR2AKDM4EALDH1A1GAA
SCHEMBL4627606 0.72 CFTR (0.57) CFTRKDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871749-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (US) 2008-01-02 EP disclosed
WO-2006108591-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-10-19 WO disclosed