SCHEMBL4021229

SCHEMBL4021229

COc1ccc2c(N3CCC(NC(=O)c4cccc(Cl)c4Cl)CC3)ccnc2c1.N#Cc1ccc2c(N3CCC(NC(=O)c4cccc(Cl)c4Cl)CC3)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
AURKA O14965 5/20 0.49
MET P08581 5/20 0.49
TEK Q02763 5/20 0.49
PAK1 Q13153 1/20 0.44
LCK P06239 3/20 0.43
AURKB Q96GD4 2/20 0.43
ABL1 P00519 1/20 0.43
LYN P07948 1/20 0.43
FGR P09769 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RX7 Q99572 1/20 0.42
GPR6 P46095 2/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL4021705 0.93 PAK1 (0.50) PAK1KDM4EMEN1KMT2AP2RX7
SCHEMBL4583078 0.93 KDR (0.56) KDRAURKAMETTEKPAK1
SCHEMBL4021559 0.88 KDR (0.51) KDRAURKAMETTEKPAK1
SCHEMBL4020031 0.85 PAK1 (0.49) KDRAURKAMETTEKPAK1
SCHEMBL4016348 0.83 MEN1 (0.49) PAK1KDM4EMEN1KMT2AP2RX7
SCHEMBL4018523 0.82 ALDH1A1 (0.59) PAK1KDM4EMEN1KMT2AP2RX7
SCHEMBL4024025 0.81 PAK1 (0.63) PAK1MEN1KMT2AP2RX7GPR6
SCHEMBL4016414 0.81 PAK1 (0.63) KDRAURKAMETTEKPAK1
SCHEMBL4024415 0.80 PAK1 (0.52) PAK1KDM4EMEN1KMT2AP2RX7
SCHEMBL4023212 0.80 PAK1 (0.52) PAK1KDM4EMEN1KMT2AP2RX7

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 disclosed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed