SCHEMBL4072828

SCHEMBL4072828

CCOc1cc(Nc2nc(Cl)nc(Cl)c2Cl)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.40
PAK4 O96013 1/20 0.40
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.33
NFKB1 P19838 1/20 0.33
GRM5 P41594 1/20 0.33
FGFR2 P21802 1/20 0.32
SLC34A1 Q06495 1/20 0.31
IGF1R P08069 4/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
JAK2 O60674 2/20 0.30
JAK3 P52333 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
SCHEMBL219241 0.86 PLK4 (0.43) PLK4PAK4MEN1HTTKMT2A
SCHEMBL4073779 0.82 IGF1R (0.42) PLK4PAK4MEN1HTTKMT2A
SCHEMBL4065934 0.82 PLK4 (0.40) PLK4PAK4MEN1HTTKMT2A
SCHEMBL4076654 0.80 ALDH1A1 (0.43) PLK4PAK4MEN1HTTKMT2A
SCHEMBL588674 0.77 PAK4 (0.62) PLK4PAK4MEN1HTTKMT2A
SCHEMBL3336245 0.77 KCNH2 (0.39) PLK4PAK4KDM4ENFKB1IGF1R
SCHEMBL3338554 0.76 NTRK1 (0.55)
SCHEMBL218646 0.75 PLK4 (0.40) PLK4PAK4MEN1HTTKMT2A
SCHEMBL4076750 0.72 IGF1R (0.40) PLK4PAK4MEN1HTTKMT2A
SCHEMBL3663952 0.71 FGFR4 (0.46) HTTFGFR2IGF1RFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed