SCHEMBL6643666

SCHEMBL6643666

O=C(Nc1ncccn1)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
HIF1A Q16665 1/20 0.67
ROCK2 O75116 1/20 0.65
ROCK1 Q13464 1/20 0.65
HDAC1 Q13547 2/20 0.62
HDAC6 Q9UBN7 1/20 0.62
POLB P06746 1/20 0.62
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
HDAC3 O15379 1/20 0.58
HDAC2 Q92769 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KCNK3 O14649 1/20 0.58
THRB P10828 1/20 0.57
PIM1 P11309 1/20 0.56
PIM3 Q86V86 1/20 0.56
PIM2 Q9P1W9 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL11591993 0.90 LMNA (0.63) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL11591966 0.87 LMNA (0.69) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL23406076 0.85 CYP2A6 (0.55) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL29743805 0.85 CYP2A6 (0.55) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL20771043 0.83 SMN1; SMN2 (0.57) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL23015840 0.83 TDP1 (0.56) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL6646471 0.81 RAB9A (0.70) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL31414959 0.81 RAB9A (0.70) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL29199014 0.81 LMNA (0.56) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL997872 0.81 RAB9A (0.59) HTTKCNK3NPC1RAB9AMEN1

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
WO-2016102969-A1 INHIBITION OF HAIR GROWTH THE UNIVERSITY OF MANCHESTER (GB) 2016-06-30 WO claimed
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 EP claimed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 WO claimed
WO-2016102969-A1 INHIBITION OF HAIR GROWTH THE UNIVERSITY OF MANCHESTER (GB) 2016-06-30 WO disclosed