SCHEMBL4781287

SCHEMBL4781287

OC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(O)c2)nc(N2CC[C@@H](O)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.39
MTOR P42345 3/20 0.37
IDH2 P48735 1/20 0.35
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL4782401 1.00 PIK3CA (0.39) PIK3CAMTORIDH2IRAK1IRAK4
SCHEMBL4784076 0.90 PIK3CA (0.41) PIK3CAMTORIRAK1IRAK4
SCHEMBL4785092 0.90 PIK3CA (0.41) PIK3CAMTORIRAK1IRAK4
SCHEMBL4784491 0.90 PIK3CA (0.41) PIK3CAMTORIRAK1IRAK4
SCHEMBL4784166 0.89 PIK3CA (0.43) PIK3CAMTOR
SCHEMBL4884098 0.89 PIK3CA (0.45) PIK3CAMTOR
SCHEMBL4784954 0.88 PIK3CA (0.44) PIK3CAMTORP2RY12
SCHEMBL4785820 0.86 PIK3CA (0.40) PIK3CAMTORIDH2
SCHEMBL4785561 0.86 PIK3CA (0.43) PIK3CAMTOR
SCHEMBL4785311 0.86 PIK3CA (0.41) PIK3CAMTORIRAK4

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