SCHEMBL4782277

SCHEMBL4782277

OC[C@H]1Cc2ccccc2CN1c1nc(OC2CCOCC2)nc(-c2cccc(F)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GRM5 P41594 5/20 0.34
PIK3CA P42336 5/20 0.33
MTOR P42345 5/20 0.33
PIK3CG P48736 5/20 0.33
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
TLR7 Q9NYK1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHEK1 O14757 1/20 0.32
JAK2 O60674 1/20 0.32
CPT1A P50416 1/20 0.31
MAPK1 P28482 2/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL14161656 0.90 PIK3CA (0.40) PIK3CAMTORPIK3CG
SCHEMBL14161859 0.85 PIK3CA (0.38) PIK3CAMTORPIK3CGCHEK1
SCHEMBL14161651 0.81 PDE5A (0.35) PIK3CAMTORPIK3CGPRMT5WDR77
SCHEMBL14161615 0.80 NAPEPLD (0.39) ADORA2AADORA1GRM5PIK3CAMTOR
SCHEMBL4785757 0.80 PIK3CA (0.36) ADORA1PIK3CAMTORCHEK1JAK2
SCHEMBL4784083 0.79 PIK3CA (0.41) ADORA2AADORA1GRM5PIK3CAMTOR
SCHEMBL4784163 0.77 PIK3CA (0.35) ADORA2AADORA1PIK3CAPRMT5WDR77
SCHEMBL14161674 0.77 PIK3CA (0.35) ADORA2AADORA1PIK3CAPRMT5WDR77
SCHEMBL4784229 0.77 PIK3CA (0.35) PIK3CAMTORPIK3CGCHEK1JAK2
SCHEMBL4784674 0.76 HRH4 (0.43) ALDH1A1

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
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO claimed
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed