SCHEMBL1645345

SCHEMBL1645345

COc1ccc(-c2nn(C3CCCCO3)cc2-c2cc(-n3cccn3)ncn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SLC34A1 Q06495 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
DRD1 P21728 1/20 0.34
GLA P06280 1/20 0.34
DPP4 P27487 1/20 0.34
BRAF P15056 1/20 0.34
FGFR1 P11362 2/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
LRRK2 Q5S007 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1645954 0.90 GRM5 (0.45) GRM5SLC34A1SMN1; SMN2HTTBRAF
SCHEMBL1647734 0.79 CYP1A2 (0.38) SLC34A1SMN1; SMN2HTTDRD1GLA
SCHEMBL1646295 0.76 BRAF (0.40) SMN1; SMN2HTTDRD1BRAFFGFR1
SCHEMBL1646733 0.76 PTGS2 (0.44) BRAFKDR
SCHEMBL1647433 0.75 DYRK1A (0.45) HTTDRD1BRAFKDRALDH1A1
SCHEMBL1646894 0.75 DYRK1A (0.46) HTTBRAFFGFR1FGFR2FGFR4
SCHEMBL1646343 0.74 ELOVL1 (0.40) NPC1RAB9AHTTLRRK2KDM4E
SCHEMBL1646367 0.72 JAK2 (0.41) FGFR1KDRLRRK2
SCHEMBL1648278 0.70 AURKB (0.48) BRAF
SCHEMBL1645407 0.70 BRAF (0.37) GRM5SLC34A1BRAFALDH1A1HSD17B10

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-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-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-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-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-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP disclosed