SCHEMBL4023663

SCHEMBL4023663

COC(=O)c1ccc(-c2ccc3c(N4CCC(NC(=O)c5cccc(Cl)c5Cl)CC4)nc(I)cc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.47
P2RX7 Q99572 1/20 0.44
MAPK14 Q16539 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
EGLN1 Q9GZT9 1/20 0.37
DRD4 P21917 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ACHE P22303 1/20 0.36
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
MAPK9 P45984 1/20 0.36
WDR5 P61964 1/20 0.36
HTR7 P34969 1/20 0.36
MELK Q14680 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL4023506 0.88 PAK1 (0.52) PAK1P2RX7MAPK14KMT2AMEN1
SCHEMBL4019812 0.83 PAK1 (0.58) PAK1P2RX7KMT2AMEN1KDR
SCHEMBL4016122 0.82 PAK1 (0.51) PAK1P2RX7MAPK14KMT2AMEN1
SCHEMBL4024040 0.81 PAK1 (0.47) PAK1P2RX7KMT2AMEN1DRD4
SCHEMBL4024051 0.78 PAK1 (0.57) PAK1P2RX7MAPK14KMT2AMEN1
SCHEMBL4023555 0.78 PAK1 (0.52) PAK1P2RX7MELKCNR1CNR2
SCHEMBL4017222 0.77 PAK1 (0.56) PAK1P2RX7MAPK14KMT2AMEN1
SCHEMBL4022683 0.75 PAK1 (0.42) PAK1P2RX7KMT2AMEN1DRD4
SCHEMBL4017912 0.75 PAK1 (0.46) PAK1P2RX7KMT2AMEN1DRD4
SCHEMBL4024515 0.73 PAK1 (0.56) PAK1P2RX7KMT2AMEN1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP claimed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed