SCHEMBL1646367

SCHEMBL1646367

COc1ccc(-c2nn(C3CCCCO3)cc2-c2ncnc3[nH]ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.41
JAK3 P52333 8/20 0.39
JAK1 P23458 7/20 0.39
ROCK2 O75116 2/20 0.39
TTBK1 Q5TCY1 2/20 0.39
TTBK2 Q6IQ55 2/20 0.39
BRD4 O60885 1/20 0.38
TBK1 Q9UHD2 2/20 0.38
TYK2 P29597 1/20 0.38
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL1647002 0.88 MAPK14 (0.42) JAK2JAK3JAK1ROCK2TBK1
SCHEMBL1648278 0.88 AURKB (0.48) ROCK2BRD4METMAPK14AURKA
SCHEMBL1646733 0.77 PTGS2 (0.44) FLT1KDRMAPK14
SCHEMBL1646894 0.76 DYRK1A (0.46) ROCK2ABL1RETFGFR1KDR
SCHEMBL1647734 0.76 CYP1A2 (0.38) ABL1RETFGFR1KDRTYRO3
SCHEMBL1647776 0.75 MAPK14 (0.59) METMAPK14AURKAAURKB
SCHEMBL1647433 0.75 DYRK1A (0.45) ABL1KDRDYRK1AMAPK14
SCHEMBL1646295 0.74 BRAF (0.40) ABL1RETFGFR1KDRAURKA
SCHEMBL31352794 0.73 FGFR1 (0.38) ABL1METFGFR1KDR
SCHEMBL1645345 0.72 GRM5 (0.37) FGFR1KDRLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP disclosed