SCHEMBL23848909

SCHEMBL23848909

CSc1nc(CS(=N)(=O)c2ccccc2)cc(N2CCOC[C@H]2C)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.51
PIK3CD O00329 4/20 0.51
MTOR P42345 4/20 0.45
ATR Q13535 11/20 0.42
CHEK1 O14757 10/20 0.42
PDCD1 Q15116 10/20 0.42
ATRIP Q8WXE1 10/20 0.42
CD274 Q9NZQ7 10/20 0.42
ATM Q13315 1/20 0.40

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
SCHEMBL23848911 0.86 PIK3CA (0.53) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL23848912 0.79 ATR (0.51) PIK3CAMTORATRATRIPATM
SCHEMBL23848913 0.78 ATR (0.48) PIK3CAMTORATRATRIPATM
SCHEMBL23848906 0.78 ATR (0.47) PIK3CAMTORATRATRIPATM
SCHEMBL739607 0.76 PIK3CA (0.52) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL23849053 0.75 PIK3CA (0.54) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL1270892 0.74 MTOR (0.63) PIK3CAPIK3CDMTORATRATM
SCHEMBL23848905 0.72 ATR (0.58) PIK3CAMTORATRATRIPATM
SCHEMBL23848949 0.72 ATR (0.50) PIK3CAMTORATRATRIPATM
SCHEMBL26960994 0.72 KMT2A (0.47)

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