SCHEMBL4784093

SCHEMBL4784093

OC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(O)c2)nc(N2CCNCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.43
CETP P11597 2/20 0.41
MTOR P42345 4/20 0.41
PIK3CG P48736 2/20 0.39
ROCK1 Q13464 2/20 0.37
HTR5A P47898 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PIK3R1 P27986 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL4785845 0.90 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4846093 0.90 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4783926 0.90 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4782301 0.90 PIK3CA (0.43) PIK3CAMTORPIK3CGPIK3R1KMT2A
SCHEMBL4785240 0.89 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3R1KMT2A
SCHEMBL4784166 0.89 PIK3CA (0.43) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL4782727 0.89 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3R1KMT2A
SCHEMBL4884098 0.89 PIK3CA (0.45) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL4782797 0.88 PIK3CA (0.42) PIK3CAMTORPIK3CGALDH1A1HPGD
SCHEMBL4784954 0.88 PIK3CA (0.44) PIK3CAMTORPIK3R1

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