SCHEMBL23848906

SCHEMBL23848906

CSc1nc(N2CCOC[C@H]2C)cc(C2(S(=N)(=O)c3ccccc3)CCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.47
MTOR P42345 4/20 0.47
KCNH2 Q12809 3/20 0.47
PIK3CA P42336 3/20 0.46
ATRIP Q8WXE1 5/20 0.44
TAF1 P21675 3/20 0.44
PRKDC P78527 2/20 0.44
PIK3R1 P27986 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL23848912 0.96 ATR (0.51) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL23848913 0.95 ATR (0.48) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL23848916 0.87 ATR (0.54) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL23848905 0.83 ATR (0.58) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL23848949 0.83 ATR (0.50) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL23848914 0.81 ATR (0.54) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL23848886 0.80 ATR (0.51) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL23848909 0.78 PIK3CA (0.51) ATRMTORPIK3CAATRIPATM
SCHEMBL4207261 0.78 ATR (0.49) ATRMTORKCNH2PIK3CAATRIP
SCHEMBL4198871 0.76 ATR (0.49) ATRMTORKCNH2PIK3CAATRIP

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