SCHEMBL23848949

SCHEMBL23848949

CSc1nc(N2CCOC[C@H]2C)cc(C2(S(=N)(N)=O)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.50
ATRIP Q8WXE1 4/20 0.49
TAF1 P21675 3/20 0.49
MTOR P42345 3/20 0.49
PRKDC P78527 2/20 0.49
PIK3CA P42336 2/20 0.49
KCNH2 Q12809 2/20 0.49
PIK3R1 P27986 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL23848886 0.93 ATR (0.51) ATRATRIPTAF1MTORPRKDC
SCHEMBL23848905 0.92 ATR (0.58) ATRATRIPTAF1MTORPRKDC
SCHEMBL23848914 0.88 ATR (0.54) ATRATRIPTAF1MTORPRKDC
SCHEMBL23848916 0.88 ATR (0.54) ATRATRIPTAF1MTORPRKDC
SCHEMBL23848912 0.86 ATR (0.51) ATRATRIPTAF1MTORPRKDC
SCHEMBL23848906 0.83 ATR (0.47) ATRATRIPTAF1MTORPRKDC
SCHEMBL23848913 0.83 ATR (0.48) ATRATRIPTAF1MTORPRKDC
SCHEMBL9978970 0.78 ATR (0.61) ATRATRIPTAF1MTORPRKDC
SCHEMBL9978917 0.78 ATR (0.61) ATRATRIPTAF1MTORPRKDC
SCHEMBL9978969 0.78 ATR (0.61) ATRATRIPTAF1MTORPRKDC

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