SCHEMBL7804789

SCHEMBL7804789

CNc1nc(NC)nc(OC(F)(F)Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CFTR P13569 4/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
IDH2 P48735 1/20 0.33
CHRNA7 P36544 1/20 0.32
PDE7A Q13946 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9188004 0.96 PDE4A (0.35) PDE4ACYP1A2CYP2C19CFTRLMNA
SCHEMBL9199029 0.88 MAPK1 (0.41) PDE4ACYP1A2CYP2C19CFTRLMNA
SCHEMBL9190102 0.88 PDE4A (0.47) PDE4ACYP1A2CYP2C19CFTRLMNA
SCHEMBL7804038 0.88 CA12 (0.33) PDE4ACYP1A2CYP2C19CFTRLMNA
SCHEMBL9196741 0.88 LMNA (0.44) PDE4ACYP1A2CYP2C19LMNAMEN1
SCHEMBL7804018 0.87 ALDH1A1 (0.35) PDE4ACYP1A2CYP2C19CFTRLMNA
SCHEMBL9188618 0.87 LMNA (0.34) PDE4ACYP1A2CYP2C19CFTRLMNA
SCHEMBL9203663 0.84 GAA (0.37) PDE4ACYP1A2LMNAMEN1KMT2A
SCHEMBL9201294 0.84 POLB (0.43) CYP1A2CYP2C19CFTRLMNAMEN1
SCHEMBL7806809 0.82 CFTR (0.40) PDE4ACYP1A2CYP2C19CFTRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572429-B1 SULFONYL UREA DERIVATES, METHOD FOR PREPARING THEM AND USE THEREOF BASF AG (DE) 2001-04-18 EP disclosed
EP-0469460-B1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF AG (DE) 1995-10-18 EP disclosed
EP-0469462-B1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF AG (DE) 1995-10-11 EP disclosed
EP-0470434-B1 Trifluoro- resp. chlorodifluoromethoxy-1,3-5-triazine and process for their preparation BASF AG (DE) 1995-10-11 EP disclosed
US-5434124-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-07-18 US disclosed
US-5342939-A 2-amino-4-fluoroalkoxy-1,3,5-triazines and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
US-5280118-A Trifluoro-and chlorodifluoromethoxy-1,3,5-triazines BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
EP-0572429-A1 SULFONYL UREA DERIVATES, METHOD FOR PREPARING THEM AND USE THEREOF BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed
US-5214143-A 2-AMINO-4-FLUOROALKOXY-1,3,5-TRIAZINES AND THE PREPARATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5194610-A TRIFLUORO- AND CHLORODIFLUOROMETHOXY-1,3,5-TRIAZINES AND THE PREPARATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5188657-A Herbicides consisting of sulfonyl-1,3,5-triazin-2-ylureas BASF AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
WO-1992014715-A1 SULFONYL UREA DERIVATES, METHOD FOR PREPARING THEM AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed
EP-0470434-A2 Trifluoro- resp. chlorodifluoromethoxy-1,3-5-triazine and process for their preparation BASF Aktiengesellschaft (DE) 1992-02-12 EP disclosed
EP-0469462-A1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed
EP-0469460-A1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed