SCHEMBL4785552

SCHEMBL4785552

NCC1CCN(c2nc(-c3cccc(O)c3)nc(N3CCc4ccccc4C3CO)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.42
DKK1 O94907 1/20 0.39
MTOR P42345 5/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
PIK3CB P42338 1/20 0.34
PFKFB3 Q16875 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL4784160 0.94 PIK3CA (0.42) PIK3CAMTORESR1ESR2PFKFB3
SCHEMBL4785307 0.91 PIK3CA (0.40) PIK3CAMTORESR1ESR2PFKFB3
SCHEMBL4784132 0.91 PIK3CA (0.44) PIK3CADKK1MTORESR1ESR2
SCHEMBL4884094 0.90 PIK3CA (0.44) PIK3CAMTORESR1ESR2PIK3CB
SCHEMBL4782618 0.87 PIK3CA (0.40) PIK3CAMTORESR1ESR2PIK3CB
SCHEMBL4782625 0.87 PIK3CA (0.40) PIK3CAMTORESR1ESR2PIK3CB
SCHEMBL4783923 0.87 HRH4 (0.43) PIK3CAMTORESR1ESR2
SCHEMBL4784088 0.87 PIK3CA (0.43) PIK3CAMTORESR1ESR2PIK3R1
SCHEMBL4782297 0.87 PIK3CA (0.43) PIK3CAMTORESR1ESR2PIK3R1
SCHEMBL4781508 0.86 PIK3CA (0.42) PIK3CAMTORESR1ESR2

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