SCHEMBL23848916

SCHEMBL23848916

CSc1nc(N2CCOC[C@H]2C)cc(C2(S(C)(=N)=O)CCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.54
MTOR P42345 5/20 0.54
ATRIP Q8WXE1 4/20 0.54
TAF1 P21675 3/20 0.54
PRKDC P78527 2/20 0.54
KCNH2 Q12809 4/20 0.53
PIK3CA P42336 3/20 0.46
PIK3R1 P27986 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL23848905 0.96 ATR (0.58) ATRMTORATRIPTAF1PRKDC
SCHEMBL23848914 0.94 ATR (0.54) ATRMTORATRIPTAF1PRKDC
SCHEMBL23848949 0.88 ATR (0.50) ATRMTORATRIPTAF1PRKDC
SCHEMBL23848906 0.87 ATR (0.47) ATRMTORATRIPTAF1PRKDC
SCHEMBL23848886 0.85 ATR (0.51) ATRMTORATRIPTAF1PRKDC
SCHEMBL23848912 0.83 ATR (0.51) ATRMTORATRIPTAF1PRKDC
SCHEMBL9978917 0.82 ATR (0.61) ATRMTORATRIPTAF1PRKDC
SCHEMBL9978969 0.82 ATR (0.61) ATRMTORATRIPTAF1PRKDC
SCHEMBL9978970 0.82 ATR (0.61) ATRMTORATRIPTAF1PRKDC
SCHEMBL9979309 0.82 ATR (0.61) ATRMTORATRIPTAF1PRKDC

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-2021189036-A1 TAF1 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-09-23 WO disclosed