SCHEMBL4784083

SCHEMBL4784083

OC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(F)c2)nc(N2CCC(N3CCOCC3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.41
MTOR P42345 9/20 0.41
PIK3CG P48736 7/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AOC3 Q16853 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL4783022 0.91 PIK3CA (0.49) PIK3CAMTORPIK3CG
SCHEMBL4784674 0.84 HRH4 (0.43) KDM4EALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL4786254 0.84 PIK3CA (0.47) PIK3CAMTORPIK3CG
SCHEMBL4782727 0.82 PIK3CA (0.58) PIK3CAMTORPIK3CG
SCHEMBL4785240 0.82 PIK3CA (0.58) PIK3CAMTORPIK3CG
SCHEMBL4884098 0.80 PIK3CA (0.45) PIK3CAMTORPIK3CG
SCHEMBL4782447 0.80 HRH4 (0.36) KDM4EALDH1A1ADORA2AADORA1GRM5
SCHEMBL4782277 0.79 ADORA2A (0.35) PIK3CAMTORPIK3CGALDH1A1ADORA2A
SCHEMBL4785912 0.79 PIK3CA (0.40) PIK3CAMTORPIK3CGHRH3
SCHEMBL14161658 0.79 MTOR (0.46) 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