SCHEMBL17874789

SCHEMBL17874789

CCN1CCC(Nc2ncc(-c3cc(NC[C@@H](C)c4cccc5c(C(=O)NC)ccnc45)ncn3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.47
TDO2 P48775 1/20 0.33
MAPK10 P53779 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
JAK3 P52333 9/20 0.33
JAK1 P23458 9/20 0.33
JAK2 O60674 8/20 0.33
TYK2 P29597 8/20 0.33
SLC40A1 Q9NP59 1/20 0.32
DYRK1A Q13627 2/20 0.32
WNT1 P04628 1/20 0.32
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL17874796 0.94 PRKDC (0.46) PRKDCTDO2JAK3JAK1JAK2
SCHEMBL17874739 0.93 PRKDC (0.48) PRKDCJAK3SLC40A1
SCHEMBL19905467 0.93 PRKDC (0.48) PRKDCJAK3SLC40A1
SCHEMBL17874688 0.93 PRKDC (0.52) PRKDCJAK3SLC40A1DYRK1A
SCHEMBL15473087 0.93 PRKDC (0.46) PRKDCMAPK10IRAK4DYRK1AWNT1
SCHEMBL17874766 0.93 PRKDC (0.46) PRKDCMAPK10IRAK4JAK3JAK1
SCHEMBL17874741 0.93 PRKDC (0.46) PRKDCMAPK10IRAK4DYRK1AWNT1
SCHEMBL19905456 0.93 PRKDC (0.46) PRKDCMAPK10IRAK4JAK3JAK1
SCHEMBL15473075 0.93 PRKDC (0.46) PRKDCMAPK10IRAK4JAK3JAK1
SCHEMBL17874787 0.89 PRKDC (0.48) PRKDCSLC40A1DYRK1AWNT1TBK1

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
US-9376448-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-28 US disclosed