SCHEMBL4784696

SCHEMBL4784696

OC[C@H]1CCCN1c1nc(-c2cccc(O)c2)nc(N2Cc3ccccc3C[C@@H]2CO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
SYK P43405 2/20 0.38
PIK3CA P42336 3/20 0.38
IMPDH2 P12268 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MTOR P42345 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CDK1 P06493 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL4783351 1.00 AOC3 (0.41) AOC3IRAK4SYKPIK3CAIMPDH2
SCHEMBL4784506 0.94 AOC3 (0.39) AOC3IRAK4SYKPIK3CAIMPDH2
SCHEMBL4884098 0.86 PIK3CA (0.45) PIK3CAMTOR
SCHEMBL4784166 0.86 PIK3CA (0.43) PIK3CAMTOR
SCHEMBL4785820 0.86 PIK3CA (0.40) AOC3PIK3CAMTORADORA2AADORA1
SCHEMBL4784954 0.85 PIK3CA (0.44) PIK3CAMTOR
SCHEMBL4846093 0.85 HRH4 (0.44) PIK3CAMTORADORA1ADORA3
SCHEMBL4784093 0.85 PIK3CA (0.43) PIK3CAMTOR
SCHEMBL4785845 0.85 HRH4 (0.44) PIK3CAMTORADORA1ADORA3
SCHEMBL4782301 0.85 PIK3CA (0.43) PIK3CAMTORADORA1ADORA3

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 3 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
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed