SCHEMBL31169291

SCHEMBL31169291

C[C@H]1CC(c2ncc(Cl)cn2)CCN1c1nc2c(c(NC3(CO)CCC3)n1)[S@+]([O-])CC2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31

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
SCHEMBL30686989 0.91 PIK3R1 (0.30) PIK3R1PIK3CA
Nerandomilast SCHEMBL14734178 0.87 PIK3R1 (0.34) PIK3R1PIK3CA
Nerandomilast SCHEMBL25606332 0.87 PIK3R1 (0.34) PIK3R1PIK3CA
SCHEMBL31083968 0.86 PIK3R1 (0.32) PIK3R1PIK3CA
SCHEMBL30678851 0.83 PIK3R1 (0.33) PIK3R1PIK3CA
SCHEMBL25606343 0.81 PIK3CA (0.34) PIK3R1PIK3CA
SCHEMBL31572391 0.81 — —
SCHEMBL31169265 0.80 — —
SCHEMBL31084026 0.79 — —
SCHEMBL31438838 0.79 PIK3CA (0.37) PIK3R1PIK3CA

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-2024208225-A1 DIHYDROTHIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海壹迪生物技术有限公司 2024-10-10 — — WO disclosed
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