SCHEMBL6633129

SCHEMBL6633129

NC(=O)c1ncc(C(F)(F)F)c(F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ASPH Q12797 1/20 0.38
KIT P10721 4/20 0.36
FLT3 P36888 4/20 0.36
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
JAK3 P52333 3/20 0.35
MAPK10 P53779 3/20 0.33
MAPK8 P45983 2/20 0.33
SCD O00767 2/20 0.33
KMO O15229 2/20 0.33
VNN1 O95497 1/20 0.33
NTRK1 P04629 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
SCHEMBL6634408 0.75 KMT2A (0.39) KMT2AASPHVNN1NTRK1
SCHEMBL29233389 0.70 KMT2A (0.41) KMT2A
SCHEMBL8596452 0.70 ASPH (0.33) ASPH
Bicarbonate SCHEMBL13674713 0.68 KMT2A (0.36) KMT2ACDC7
SCHEMBL29959449 0.68 ADORA3 (0.37) KMT2AMAP4K4JAK3
SCHEMBL8596569 0.67 XPO1 (0.36) KMT2A
SCHEMBL17537335 0.67 HTT (0.36) ASPH
SCHEMBL13837225 0.66 SYK (0.45) KMT2AKMO
SCHEMBL28349114 0.65 MAPK1 (0.39)
Trifluoroacetic Acid SCHEMBL28190465 0.65 SORT1 (0.40) KMT2A

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-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed