SCHEMBL1440438

SCHEMBL1440438

Nc1ncnc(C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
CHKA P35790 1/20 0.40
RPS6KB1 P23443 1/20 0.35
XDH P47989 3/20 0.33
MAP4K4 O95819 4/20 0.32
PI4KA P42356 5/20 0.31
PI4K2B Q8TCG2 5/20 0.31
PI4K2A Q9BTU6 5/20 0.31
PI4KB Q9UBF8 5/20 0.31
LRRK2 Q5S007 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
RET P07949 1/20 0.30
LMNA P02545 1/20 0.30
DRD3 P35462 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL24714020 0.82 PI4KA (0.36) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL15741407 0.79
SCHEMBL20088858 0.77 CA2 (0.38) CA2CHKARPS6KB1XDH
SCHEMBL12264312 0.72 CA2 (0.44) CA2CHKAXDHMAP4K4PI4KA
SCHEMBL179361 0.70 CA2 (0.35) CA2CHKAXDHPI4KAPI4K2B
SCHEMBL793968 0.68
SCHEMBL18809713 0.68
SCHEMBL16992858 0.68 HTT (0.49) NOS3NOS2LMNA
SCHEMBL16783456 0.67 SGK1 (0.38) CA2CHKAXDHPI4KAPI4K2B
Hydrochloric Acid SCHEMBL16992973 0.67 HTT (0.47) NOS3NOS2LMNA

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-2473049-A1 BRUTON'S TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2012-07-11 EP disclosed
WO-2011029046-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed