SCHEMBL6867527

SCHEMBL6867527

CCCCNC(=O)c1cc(N)n2nc(-c3ccc(OC)s3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EGLN2 Q96KS0 1/20 0.37
ALOX15 P16050 1/20 0.37
KDR P35968 1/20 0.37
CAMK2D Q13557 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MCHR1 Q99705 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL6863144 0.96 NAAA (0.39) ADORA2AMAPTALOX15NPC1RAB9A
SCHEMBL6873034 0.94 ADORA2A (0.39) ADORA2AMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL6871700 0.88 SMN1; SMN2 (0.41) ADORA2ASMN1; SMN2EGLN2ALOX15KDR
SCHEMBL6863086 0.84 PLAU (0.44) ADORA2ASMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL6871503 0.83 ADORA2A (0.43) ADORA2AMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL6872018 0.83 ADORA2A (0.41) ADORA2AMAPTALDH1A1LMNANPC1
SCHEMBL6871570 0.82 HPGD (0.46) MAPTHPGDALDH1A1LMNAKDM4E
SCHEMBL6863519 0.82 ADORA2A (0.44) ADORA2ASMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL6870384 0.82 ADORA2A (0.58) ADORA2AMAPTSMN1; SMN2EGLN2ALOX15
SCHEMBL6869899 0.81 SLC16A3 (0.43) MAPTSMN1; SMN2HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed