SCHEMBL5511892

SCHEMBL5511892

Oc1cc(-c2ccncc2)cc2c1N(C1CCNCC1)c1ccccc1O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.37
BRAF P15056 3/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
CDC7 O00311 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
QDPR P09417 1/20 0.31
CACNA1B Q00975 1/20 0.31
FGR P09769 1/20 0.31
EPHA1 P21709 1/20 0.31
TXK P42681 1/20 0.31

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
SCHEMBL5507937 0.89 PIM1 (0.37) PIM1MKNK1MKNK2KDM4ENPC1
SCHEMBL5119736 0.83 PIM1 (0.40) PIM1BRAFMAPK3MAPK1CDC7
SCHEMBL5509159 0.82 DRD4 (0.43)
SCHEMBL5507880 0.82 PIM1 (0.35) PIM1CACNA1B
SCHEMBL5507199 0.81 DRD2 (0.43) MAPK1KDM4EHTR2A
SCHEMBL5502548 0.80 L3MBTL1 (0.40) MAPK1KDM4EL3MBTL1
SCHEMBL5505023 0.79 PIM1 (0.39) PIM1MAPK1L3MBTL1CACNA1BHTR2A
SCHEMBL5508370 0.79 PARP2 (0.35) KDM4EHTR2AHTR2C
SCHEMBL5503010 0.77 PIM1 (0.38) PIM1CACNA1BHTR2C
SCHEMBL5503892 0.77 QDPR (0.36) PIM1BRAFMAPK3MAPK1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP claimed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO claimed
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed