SCHEMBL8815752

SCHEMBL8815752

Cc1cccc(-c2nc(-c3cccc(N)c3)c3ccccc3n2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
TGFBR1 P36897 14/20 0.50
MAPK14 Q16539 1/20 0.50
ADORA2A P29274 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NUDT1 P36639 1/20 0.43

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
SCHEMBL6120916 0.88 TGFBR1 (0.54) MEN1KMT2AATMTGFBR1MAPK14
SCHEMBL8818799 0.87 KMT2A (0.51) MEN1KMT2AATMTGFBR1MAPK14
SCHEMBL8814729 0.87 NR1I3 (0.54) MEN1KMT2ATGFBR1MAPK14LMNA
SCHEMBL8817137 0.87 TGFBR1 (0.54) MEN1KMT2AATMTGFBR1MAPK14
SCHEMBL8816177 0.85 NR1I3 (0.51) TGFBR1MAPK14KDM4ELMNA
SCHEMBL8815695 0.85 ADORA2A (0.58) MEN1KMT2AATMTGFBR1MAPK14
SCHEMBL8819255 0.85 TGFBR1 (0.47) MEN1KMT2AATMTGFBR1MAPK14
SCHEMBL8817436 0.85 TGFBR1 (0.47) MEN1KMT2AATMTGFBR1MAPK14
SCHEMBL8815687 0.84 TGFBR1 (0.49) MEN1KMT2AATMTGFBR1MAPK14
SCHEMBL8815723 0.84 TGFBR1 (0.63) MEN1KMT2AATMTGFBR1MAPK14

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
WO-2012066122-A1 2 - (PYRIDIN- 2 -YL) -QUINAZOLINE DERIVATIVES AND THEIR USE AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-24 WO disclosed