SCHEMBL4022833

SCHEMBL4022833

O=C(NC1CCN(c2ncnc3c(Cl)cccc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2ncnc3cc(C(F)(F)F)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.57
KIT P10721 1/20 0.45
P2RX7 Q99572 1/20 0.44
RAB9A P51151 1/20 0.44
DRD4 P21917 2/20 0.42
RPS6KB1 P23443 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
CRHR1 P34998 2/20 0.41
CRHR2 Q13324 1/20 0.41
SUV39H1 O43463 1/20 0.40
PRMT1 Q99873 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40

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
SCHEMBL4581785 0.95 PAK1 (0.63) PAK1KITP2RX7RAB9ADRD4
SCHEMBL4016188 0.94 PAK1 (0.59) PAK1KITP2RX7RAB9ADRD4
SCHEMBL4021914 0.88 PAK1 (0.63) PAK1KITP2RX7RAB9ADRD4
SCHEMBL4018133 0.87 PAK1 (0.72) PAK1P2RX7DRD4RPS6KB1MEN1
SCHEMBL4018426 0.85 PAK1 (0.59) PAK1KITP2RX7RAB9AMEN1
SCHEMBL4581607 0.85 PAK1 (0.65) PAK1KITP2RX7DRD4MEN1
SCHEMBL4016261 0.85 DRD2 (0.47) PAK1P2RX7DRD4RPS6KB1MEN1
SCHEMBL4025750 0.84 PAK1 (0.66) PAK1P2RX7MEN1KMT2ACNR1
SCHEMBL4024568 0.84 PAK1 (0.68) PAK1P2RX7MEN1KMT2ACNR1
SCHEMBL4019827 0.83 PAK1 (0.56) PAK1KITP2RX7DRD4MEN1

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