SCHEMBL4557239

SCHEMBL4557239

O=C(NC1CCN(c2ncnc3cc(C#Cc4ccccc4)ccc23)CC1)c1cccc(Cl)c1Cl.O=C(O)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.54
MAP3K5 Q99683 4/20 0.40
MAP3K6 O95382 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
SUV39H1 O43463 1/20 0.38
PRMT1 Q99873 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
DRD2 P14416 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LRRK2 Q5S007 2/20 0.37
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL4583323 0.91 PAK1 (0.61) PAK1MAP3K5MAP3K6MEN1KMT2A
SCHEMBL4017305 0.85 PAK1 (0.55) PAK1MAP3K5MAP3K6MEN1KMT2A
SCHEMBL4557238 0.82 MALT1 (0.37) PAK1MALT1SUV39H1PRMT1SMYD3
SCHEMBL4024025 0.82 PAK1 (0.63) PAK1MAP3K5MAP3K6MEN1KMT2A
SCHEMBL4024042 0.80 PAK1 (0.71) PAK1MEN1KMT2AP2RX7MALT1
SCHEMBL4016348 0.80 MEN1 (0.49) PAK1MAP3K5MEN1KMT2AP2RX7
SCHEMBL4016410 0.79 PAK1 (0.64) PAK1MEN1KMT2AP2RX7MALT1
SCHEMBL4024568 0.79 PAK1 (0.68) PAK1MAP3K5MAP3K6MEN1KMT2A
SCHEMBL4019298 0.79 PAK1 (0.54) PAK1MEN1KMT2AP2RX7MALT1
SCHEMBL4018498 0.78 PAK1 (0.62) PAK1MEN1KMT2AP2RX7MALT1

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