SCHEMBL4783224

SCHEMBL4783224

OC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(O)c2)nc(N2CCN(C3CCCCC3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.40
KDM2B Q8NHM5 1/20 0.39
ESR1 P03372 5/20 0.38
ESR2 Q92731 2/20 0.38
ESRRG P62508 4/20 0.37
ESRRA P11474 2/20 0.37
MTOR P42345 1/20 0.37
ESRRB O95718 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL4785912 0.99 PIK3CA (0.40) PIK3CAKDM2BESR1ESR2ESRRG
SCHEMBL4786254 0.91 PIK3CA (0.47) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL14161666 0.91 MEN1 (0.38) PIK3CAKDM2BESR1ESR2MTOR
SCHEMBL4783022 0.88 PIK3CA (0.49) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL4846093 0.87 HRH4 (0.44) PIK3CAESR2MTOR
SCHEMBL4785845 0.87 HRH4 (0.44) PIK3CAESR2MTOR
SCHEMBL4782301 0.87 PIK3CA (0.43) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL4783926 0.87 HRH4 (0.44) PIK3CAESR2MTOR
SCHEMBL4884098 0.86 PIK3CA (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4784166 0.86 PIK3CA (0.43) PIK3CAMTORPIK3CG

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