SCHEMBL9190290

SCHEMBL9190290

C=CCNc1nc(OC(F)(F)F)nc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
CREBBP Q92793 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9185037 0.89 GAA (0.50) GAASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9188426 0.88 GAA (0.42) GAASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9189996 0.83 GAA (0.45) GAASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9185660 0.82 CYP1A2 (0.45) GAASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9188454 0.76 GAA (0.47) GAASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL7935900 0.73 GAA (0.41) GAASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9185010 0.72
SCHEMBL9190333 0.72 GAA (0.43) GAASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9188027 0.72 CYP1A2 (0.44) GAASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL7934702 0.71 ATM (0.43) GAASMN1; SMN2NPC1RAB9ATSHR

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
EP-0469462-B1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF AG (DE) 1995-10-11 EP 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-5214143-A 2-AMINO-4-FLUOROALKOXY-1,3,5-TRIAZINES AND THE PREPARATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
EP-0469462-A1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed