SCHEMBL8884850

SCHEMBL8884850

Nc1c[nH]nc1-c1cccc2c1OC(F)(F)O2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
KRAS P01116 1/20 0.34
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
NOTUM Q6P988 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ADORA2A P29274 3/20 0.31
ATR Q13535 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
AKT1 P31749 1/20 0.30
USP1 O94782 1/20 0.30
GPR3 P46089 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
SCHEMBL8427158 0.83 DRD2 (0.34) MPOKRASJAK2JAK3PTK2
SCHEMBL8884101 0.83 JAK2 (0.34) MPOKRASJAK2JAK3PTK2
SCHEMBL8883615 0.83 KRAS (0.34) MPOKRASJAK2JAK3PTK2
SCHEMBL8884423 0.80 FFAR4 (0.34) MPOKRASJAK2JAK3PTK2
SCHEMBL8886319 0.80 KRAS (0.33) MPOKRASJAK2JAK3PTK2
SCHEMBL8885657 0.79 CA1 (0.33) MPOKRASJAK2JAK3PTK2
SCHEMBL8885917 0.78 MPO (0.35) MPOKRASJAK2JAK3PTK2
SCHEMBL8885913 0.78 FFAR4 (0.35) MPOKRASJAK2JAK3PTK2
SCHEMBL8884979 0.77 KRAS (0.32) MPOKRAS
SCHEMBL12922484 0.73 CYP2D6 (0.49) MPOKRASJAK2JAK3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663119-A FOR USE IN AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1997-09-02 US disclosed
US-5523280-A TREATING PLANT DISEASES RHONE-POULENC AGROCHIMIE (FR) 1996-06-04 US disclosed
EP-0538156-A1 Fungicidal phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1993-04-21 EP disclosed