SCHEMBL247287

SCHEMBL247287

c1ccc(-c2nc3sccc3cc2CCNc2ncnc3[nH]cnc23)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 5/20 0.36
MAPK1 P28482 3/20 0.36
TAAR1 Q96RJ0 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
HIF1A Q16665 2/20 0.32
RECQL P46063 1/20 0.32
METAP1 P53582 3/20 0.32
METAP2 P50579 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK2 O60674 1/20 0.31

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
SCHEMBL248722 0.82 MAP4K4 (0.39) HTTSMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL4443536 0.81 PIK3CD (0.42) HTTSMN1; SMN2LMNAMAPK1TAAR1
SCHEMBL17240937 0.81 PIK3CG (0.52) HTTSMN1; SMN2LMNAMAPK1TAAR1
Water SCHEMBL17240976 0.80 PIK3CG (0.51) HTTSMN1; SMN2LMNAMAPK1TAAR1
SCHEMBL4436542 0.79 MAPK1 (0.39) HTTSMN1; SMN2LMNAMAPK1TAAR1
SCHEMBL4442906 0.78 METAP1 (0.40) HTTSMN1; SMN2LMNAMAPK1TAAR1
SCHEMBL14815336 0.78 PIK3CD (0.51) RAB9APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL247286 0.78 PIK3CD (0.51) RAB9APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14815568 0.78 PIK3CD (0.51) RAB9APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16799174 0.78 PIK3CG (0.41) HTTSMN1; SMN2LMNAMAPK1TAAR1

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-2588468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003262-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed