SCHEMBL5262885

SCHEMBL5262885

O=C(NOc1ncccc1-c1ccncn1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEK Q02763 7/20 0.48
KDR P35968 6/20 0.48
PDE10A Q9Y233 2/20 0.46
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1265637 0.77 KDR (0.62) TEKKDRPDE10AHTT
SCHEMBL1265217 0.77 KDR (0.59) TEKKDRPDE10AHTTLMNA
SCHEMBL1264516 0.76 TEK (0.56) TEKKDRPDE10A
SCHEMBL1266363 0.75 TEK (0.67) TEKKDR
SCHEMBL5264038 0.75 PDE10A (0.51) TEKKDRPDE10AKMT2A
SCHEMBL1263742 0.73 PDE10A (0.62) TEKKDRPDE10A
SCHEMBL30143171 0.73 PDE10A (0.59) TEKKDRPDE10A
SCHEMBL27634795 0.72 JAK2 (0.56) HTTKMT2AJAK2TYK2ALDH1A1
SCHEMBL1265623 0.72 KDR (0.60) TEKKDRPDE10AHTTKMT2A
SCHEMBL5262888 0.72 PDE10A (0.48) TEKKDRPDE10AKMT2ALMNA

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-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP claimed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO claimed