SCHEMBL4013369

SCHEMBL4013369

Oc1cccc(-c2ccnc3c(F)cccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.65
CDC7 O00311 1/20 0.47
TOP2A P11388 2/20 0.46
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
KDM4E B2RXH2 2/20 0.42
HSD17B1 P14061 5/20 0.41
HSD17B2 P37059 5/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
FYN P06241 1/20 0.39
MPI P34949 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4016535 0.82 PIK3CD (0.61) PIK3CDCDC7TOP2ANR1H2NR1H3
SCHEMBL4011409 0.82 PIK3CD (0.61) PIK3CDCDC7TOP2ANR1H2NR1H3
SCHEMBL6558762 0.81 PIK3CD (0.60) PIK3CDCDC7TOP2AHSD17B1HSD17B2
SCHEMBL1125582 0.81 NR1H2 (0.62) PIK3CDCDC7TOP2ANR1H2NR1H3
SCHEMBL4013567 0.78 PIK3CD (0.57) PIK3CDCDC7TOP2AHSD17B1HSD17B2
SCHEMBL4016601 0.78 PIK3CD (0.57) PIK3CDCDC7TOP2ANR1H2NR1H3
SCHEMBL4017563 0.76 PIK3CD (0.54) PIK3CDCDC7HSD17B1HSD17B2CCNB2
SCHEMBL4018184 0.76 PIK3CD (0.54) PIK3CDCDC7TOP2ANR1H2NR1H3
SCHEMBL25521412 0.76 PIK3CD (0.42) PIK3CDTOP2ANR1H2NR1H3KDM4E
SCHEMBL27765105 0.75 PIK3CD (0.53) PIK3CDCDC7TOP2ANR1H2NR1H3

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-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed