SCHEMBL13450985

SCHEMBL13450985

Cc1nc(-c2ccc(N)c(F)c2)co1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.53
ENPP1 P22413 3/20 0.53
KMT2A Q03164 2/20 0.45
SCN9A Q15858 1/20 0.42
POLB P06746 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
PARP1 P09874 1/20 0.37
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12021894 0.87 ENPP3 (0.53) ENPP3ENPP1KMT2ASCN9APOLB
SCHEMBL8228630 0.85 ENPP3 (0.58) ENPP3ENPP1KMT2ASCN9APOLB
SCHEMBL8418313 0.83 ENPP3 (0.56) ENPP3ENPP1KMT2ASCN9APOLB
SCHEMBL14259170 0.81 ENPP3 (0.53) ENPP3ENPP1KMT2ASCN9APOLB
SCHEMBL12021934 0.81 ENPP3 (0.53) ENPP3ENPP1KMT2ASCN9APOLB
SCHEMBL13344879 0.81 ENPP3 (0.53) ENPP3ENPP1KMT2ASCN9APOLB
SCHEMBL8257975 0.80 ENPP3 (0.56) ENPP3ENPP1KMT2ASCN9APOLB
SCHEMBL8281113 0.78 ENPP3 (0.56) ENPP3ENPP1KMT2ASCN9ATP53
SCHEMBL8221289 0.78 ENPP3 (0.50) ENPP3ENPP1KMT2ASCN9APOLB
SCHEMBL12021820 0.77 ENPP3 (0.53) ENPP3ENPP1KMT2ASCN9APOLB

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-1745047-B1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-03-24 EP disclosed