SCHEMBL7859563

SCHEMBL7859563

CCc1c(C(=O)N2CCOc3ccc(C4=NN=C(N)C4)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.61
PIK3CA P42336 17/20 0.55
RIPK1 Q13546 1/20 0.39
CREBBP Q92793 1/20 0.37

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
SCHEMBL3756255 0.86 PRKDC (0.64) PRKDCPIK3CARIPK1CREBBP
SCHEMBL3715225 0.86 PRKDC (0.70) PRKDCPIK3CARIPK1
SCHEMBL3756766 0.86 PRKDC (0.63) PRKDCPIK3CARIPK1CREBBP
SCHEMBL3760305 0.86 PRKDC (0.63) PRKDCPIK3CARIPK1
SCHEMBL3755287 0.86 PRKDC (0.63) PRKDCPIK3CARIPK1CREBBP
SCHEMBL7862288 0.85 PRKDC (0.55) PRKDCPIK3CARIPK1CREBBP
SCHEMBL3754519 0.85 PRKDC (0.62) PRKDCPIK3CARIPK1
SCHEMBL3753883 0.85 PRKDC (0.81) PRKDCPIK3CARIPK1
SCHEMBL3752371 0.85 PRKDC (0.67) PRKDCPIK3CARIPK1
SCHEMBL3761401 0.85 PRKDC (0.62) PRKDCPIK3CARIPK1CREBBP

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