SCHEMBL4018034

SCHEMBL4018034

COc1ccc2c(N3CCC(NC(=O)c4cccc(Cl)c4Cl)CC3)ncnc2c1.O=C(NC1CCN(c2ncnc3cc(F)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.57
KDR P35968 3/20 0.45
AURKA O14965 2/20 0.45
MET P08581 2/20 0.45
TEK Q02763 2/20 0.45
PDGFRB P09619 1/20 0.45
CNR1 P21554 2/20 0.44
MTNR1B P49286 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
AURKB Q96GD4 1/20 0.44
P2RX7 Q99572 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 1/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL4016414 0.95 PAK1 (0.63) PAK1KDRAURKAMETTEK
SCHEMBL4025750 0.93 PAK1 (0.66) PAK1CNR1P2RX7MEN1KMT2A
SCHEMBL4021559 0.88 KDR (0.51) PAK1KDRAURKAMETTEK
SCHEMBL4023766 0.86 PAK1 (0.66) PAK1PDGFRBCNR1MALT1P2RX7
SCHEMBL4024568 0.84 PAK1 (0.68) PAK1PDGFRBCNR1MALT1P2RX7
SCHEMBL4023555 0.84 PAK1 (0.52) PAK1PDGFRBCNR1MALT1P2RX7
SCHEMBL4583078 0.82 KDR (0.56) PAK1KDRAURKAMETTEK
SCHEMBL4020785 0.82 PAK1 (0.66) PAK1CNR1MALT1P2RX7MEN1
SCHEMBL4024515 0.82 PAK1 (0.56) PAK1KDRAURKAMETTEK
SCHEMBL4581785 0.82 PAK1 (0.63) PAK1CNR1P2RX7MEN1KMT2A

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