SCHEMBL3249166

SCHEMBL3249166

CN(C)CCN(C)c1nccc(-c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.40
PIM3 Q86V86 7/20 0.40
PIM2 Q9P1W9 6/20 0.40
ENPP2 Q13822 1/20 0.38
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
TET2 Q6N021 1/20 0.33
TET1 Q8NFU7 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL13928213 0.89 JAK2 (0.38) PIM1PIM3PIM2
SCHEMBL3251264 0.89 PDPK1 (0.43) PIM1ENPP2PRKAG1PRKAA1PRKAB1
Formic Acid SCHEMBL3249581 0.86 JAK3 (0.36) PIM1PIM3PIM2
SCHEMBL4174413 0.85 PIM1 (0.41) PIM1PIM3PIM2TLR9TLR8
Formic Acid SCHEMBL4159384 0.83 PIM1 (0.36) PIM1PIM3PIM2TLR9TLR8
SCHEMBL3249380 0.83 CAMKK2 (0.46) PIM1PIM3PIM2TET2TET1
SCHEMBL4159388 0.81 PIM1 (0.36) PIM1PIM3PIM2
SCHEMBL3245619 0.81 AURKA (0.47) PIM1PIM3PIM2TET2TET1
SCHEMBL3245517 0.80 PDPK1 (0.46) PIM1PIM2ENPP2TET2TET1
SCHEMBL3247681 0.79 JAK2 (0.42) PDPK1

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed