SCHEMBL7869191

SCHEMBL7869191

CCC(=O)Nc1ncc(-c2ccc3c(c2)CN(C(=O)c2ccc(S(C)(=O)=O)c(F)c2CC)CCO3)s1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.56
PIK3CA P42336 14/20 0.51
RIPK1 Q13546 3/20 0.37
GPR142 Q7Z601 1/20 0.36
PIK3CG P48736 1/20 0.36
MTOR P42345 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
SCHEMBL3752585 0.94 PRKDC (0.57) PRKDCPIK3CARIPK1GPR142PIK3CG
SCHEMBL3750502 0.94 PRKDC (0.55) PRKDCPIK3CARIPK1GPR142PIK3CG
SCHEMBL3754528 0.94 PRKDC (0.57) PRKDCPIK3CARIPK1GPR142PIK3CG
SCHEMBL3756049 0.91 PRKDC (0.56) PRKDCPIK3CARIPK1PIK3CG
SCHEMBL3755747 0.91 PRKDC (0.56) PRKDCPIK3CARIPK1PIK3CG
SCHEMBL3755143 0.91 PRKDC (0.54) PRKDCPIK3CARIPK1GPR142PIK3CG
SCHEMBL3747626 0.91 PRKDC (0.54) PRKDCPIK3CARIPK1GPR142PIK3CG
SCHEMBL3754870 0.91 PRKDC (0.56) PRKDCPIK3CARIPK1GPR142PIK3CG
SCHEMBL3751119 0.90 PRKDC (0.53) PRKDCPIK3CARIPK1GPR142PIK3CG
SCHEMBL3760514 0.89 PRKDC (0.54) PRKDCPIK3CARIPK1GPR142PIK3CG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed