SCHEMBL25080403

SCHEMBL25080403

C[C@@H]1COCCN1c1nc(Cl)nc2c1ncn2S(=O)(=O)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.48
▸ ATR Q13535 10/20 0.45
▸ ATRIP Q8WXE1 8/20 0.45
▸ PIK3CA P42336 6/20 0.41
▸ PIK3R1 P27986 4/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PDCD1 Q15116 3/20 0.39
▸ CD274 Q9NZQ7 3/20 0.39
▸ CHEK1 O14757 3/20 0.39

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
SCHEMBL25292440 0.90 MTOR (0.48) MTORATRATRIPPIK3CAPIK3CD
SCHEMBL25243745 0.90 MTOR (0.48) MTORATRATRIPPIK3CAPIK3CD
SCHEMBL25080340 0.82 ATR (0.64) MTORATRATRIPPIK3CA
SCHEMBL1611443 0.82 MTOR (0.53) MTORATRPIK3CAPIK3R1PIK3CD
SCHEMBL1611445 0.82 MTOR (0.53) MTORATRPIK3CAPIK3R1PIK3CD
SCHEMBL2673181 0.82 MTOR (0.53) MTORATRPIK3CAPIK3R1PIK3CD
SCHEMBL25080284 0.79 MTOR (0.50) MTORATRPIK3CAPIK3CDCHEK1
SCHEMBL25080274 0.79 MTOR (0.50) MTORATRPIK3CAPIK3CDCHEK1
SCHEMBL25235943 0.79 MTOR (0.57) MTORATRPIK3CAPIK3R1PIK3CD
SCHEMBL1612230 0.79 MTOR (0.57) MTORATRPIK3CAPIK3R1PIK3CD

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-2023020604-A1 FIVE-MEMBERED NITROGEN-CONTAINING HETEROCYCLIC AND HETEROARYL DERIVATIVE AND USE THEREOF 南京大美生物制药有限公司 2023-02-23 — — WO disclosed
Send feedback