SCHEMBL9682798

SCHEMBL9682798

COc1cc2ccccc2nc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.57
NQO2 P16083 3/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 4/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 2/20 0.42
MAPT P10636 3/20 0.42
ACHE P22303 1/20 0.42
BTK Q06187 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL10536345 0.83 ALDH1A1 (0.42) TLR8ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL27929761 0.82 TLR8 (0.47) TLR8ALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL21200039 0.79 PDGFRB (0.54) NQO2ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL19076211 0.79 PDGFRB (0.55) TLR8NQO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14911960 0.77 TDP1 (0.53) NQO2ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL17255630 0.76 TLR8 (0.50) TLR8ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL17255631 0.76 TLR8 (0.50) TLR8ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL9590284 0.76 TLR8 (0.67) TLR8NQO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19076264 0.75 MAPT (0.52) TLR8NQO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5117776 0.74 TLR8 (0.65) TLR8NQO2ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678329-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-01 EP disclosed
WO-2012154274-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-15 WO disclosed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed