SCHEMBL6233857

SCHEMBL6233857

CCN1CCCC1CNc1nc(N)nc(Nc2cnc(OC)c(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.41
DRD2 P14416 1/20 0.41
MTOR P42345 2/20 0.40
VNN1 O95497 1/20 0.40
PIK3R1 P27986 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
MAP3K8 P41279 2/20 0.39

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
SCHEMBL5029329 0.90 GALR1 (0.42) PIK3CADRD2VNN1PIK3R1KDM4E
SCHEMBL4832454 0.89 DRD2 (0.39) DRD2VNN1KDM4EALDH1A1POLB
SCHEMBL5551996 0.85 GALR1 (0.47) DRD2
SCHEMBL6239105 0.82 HTT (0.44) VNN1KDM4EALDH1A1POLBHPGD
SCHEMBL6428940 0.81 PIK3CA (0.38) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4829744 0.80 DRD2 (0.50) DRD2
SCHEMBL4832495 0.80 DRD2 (0.50) DRD2
SCHEMBL6231894 0.80 MAP3K8 (0.40) DRD2VNN1KDM4EALDH1A1POLB
SCHEMBL7190657 0.79 MAP3K8 (0.39) DRD2VNN1KDM4EALDH1A1POLB
SCHEMBL5029035 0.78 GALR1 (0.44) DRD2

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
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed