SCHEMBL30030366

SCHEMBL30030366

Cc1cc(C(=O)NCCO)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 20/20 0.64
TTK P33981 2/20 0.60
KCNH2 Q12809 1/20 0.60
PIK3CD O00329 1/20 0.60
CSF1R P07333 1/20 0.60
PIK3R1 P27986 1/20 0.60
PIK3CA P42336 1/20 0.60
PIK3CB P42338 1/20 0.60
MTOR P42345 1/20 0.60
PIK3CG P48736 1/20 0.60
ATM Q13315 1/20 0.60

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
SCHEMBL30031038 0.93 PRKDC (0.64) PRKDCTTKKCNH2PIK3CDCSF1R
SCHEMBL23948185 0.90 PRKDC (0.68) PRKDCTTKKCNH2PIK3CDCSF1R
SCHEMBL30030910 0.89 PRKDC (0.64) PRKDCTTKKCNH2PIK3CDCSF1R
SCHEMBL30029816 0.88 PRKDC (0.60) PRKDCTTKKCNH2PIK3CDCSF1R
SCHEMBL30029796 0.88 PRKDC (0.62) PRKDCTTKKCNH2PIK3CDCSF1R
SCHEMBL23948607 0.88 PRKDC (0.70) PRKDCTTKKCNH2PIK3CDCSF1R
SCHEMBL29501980 0.88 PRKDC (0.66) PRKDCTTKKCNH2PIK3CDCSF1R
SCHEMBL30030868 0.87 PRKDC (0.70) PRKDCTTKKCNH2PIK3CDCSF1R
SCHEMBL30029430 0.85 PRKDC (0.70) PRKDCTTKKCNH2PIK3CDCSF1R
SCHEMBL23948202 0.82 PRKDC (0.84) PRKDCTTKKCNH2PIK3CDCSF1R

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-2022177302-A1 PYRIMIDINE-FUSED RING COMPOUND WITH DNA-PK INHIBITION ACTIVITY AND USE THEREOF 보령제약 주식회사 2022-08-25 WO claimed
WO-2022177302-A1 PYRIMIDINE-FUSED RING COMPOUND WITH DNA-PK INHIBITION ACTIVITY AND USE THEREOF 보령제약 주식회사 2022-08-25 WO disclosed