SCHEMBL16378554

SCHEMBL16378554

FCc1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cn[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
PIK3CA P42336 16/20 0.45
PIK3CB P42338 9/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PIK3CD O00329 8/20 0.45
PIK3CG P48736 8/20 0.45
HRH4 Q9H3N8 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
SCHEMBL1310490 0.89 LMNA (0.53) LMNAMAPK1PIK3CAPIK3CBTSHR
SCHEMBL1310092 0.86 LMNA (0.50) LMNAMAPK1PIK3CAPIK3CBTSHR
SCHEMBL1309544 0.85 PIK3CA (0.61) LMNAMAPK1PIK3CAPIK3CBPIK3CD
SCHEMBL1311222 0.78 PIK3CA (0.60) LMNAMAPK1PIK3CAPIK3CBTSHR
SCHEMBL1310077 0.78 LMNA (0.55) LMNAMAPK1PIK3CAPIK3CBTSHR
SCHEMBL1310153 0.75 PIK3CD (0.57) LMNAMAPK1PIK3CAPIK3CBTSHR
SCHEMBL1310913 0.73 PIK3CA (0.58) LMNAMAPK1PIK3CAPIK3CBTSHR
SCHEMBL1309730 0.73 LMNA (0.64) LMNAMAPK1PIK3CAPIK3CBTSHR
SCHEMBL1311889 0.73 PIK3CA (0.55) LMNAMAPK1PIK3CAPIK3CBTSHR
SCHEMBL1311958 0.73 LMNA (0.60) LMNAMAPK1PIK3CAPIK3CBTSHR

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
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed