SCHEMBL4044605

SCHEMBL4044605

CCC1c2cc(OC)c(OC)cc2-c2n[nH]c(Nc3cccnc3Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.39
PTPN11 Q06124 1/20 0.35
CHEK1 O14757 2/20 0.35
KMT2A Q03164 4/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
PDE4A P27815 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDGFRB P09619 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM4 Q14833 2/20 0.33
NPC1 O15118 2/20 0.33
P2RX7 Q99572 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 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
SCHEMBL13146502 1.00 POLB (0.39) POLBPTPN11CHEK1KMT2ATP53
SCHEMBL13146457 0.90 POLB (0.40) POLBPTPN11CHEK1KMT2ATP53
SCHEMBL4043296 0.90 POLB (0.40) POLBPTPN11CHEK1KMT2ATP53
SCHEMBL4043819 0.80 PDGFRB (0.46) KMT2ATP53MAPTPDGFRBMAPK1
SCHEMBL4041656 0.77 PDGFRB (0.45) POLBCHEK1KMT2ATP53MAPT
SCHEMBL13145438 0.77 PDGFRB (0.45) CHEK1KMT2ATP53MAPTPDE4A
SCHEMBL13146480 0.77 EIF2AK1 (0.48) KMT2AMEN1
SCHEMBL4044365 0.77 EIF2AK1 (0.48) KMT2AMEN1
SCHEMBL13146473 0.77 MAPT (0.41) POLBKMT2ATP53MAPTPDGFRB
SCHEMBL4047036 0.77 MAPT (0.41) POLBKMT2ATP53MAPTPDGFRB

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
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
CN-100396670-C N-substituted 3-aminobenzene-pyrazoles as PDFG receptor inhibitors, pharmaceutical compositions and uses JANSSEN PHARMACEUTICA NV (BE) 2008-06-25 CN disclosed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed