SCHEMBL31084004

SCHEMBL31084004

CC(C)(C)OC(=O)NCC1(Nc2nc(N3CCC(c4ncc(Cl)cn4)CC3)nc3c2[S@+]([O-])CC3)CCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 3/20 0.34
▸ PIK3CA P42336 3/20 0.34
▸ NPFFR1 Q9GZQ6 1/20 0.31
▸ NPFFR2 Q9Y5X5 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ CKS1B P61024 1/20 0.31
▸ SKP1 P63208 1/20 0.31
▸ SKP2 Q13309 1/20 0.31
▸ SMO Q99835 1/20 0.31
▸ JAK3 P52333 1/20 0.30
▸ BTK Q06187 1/20 0.30

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
SCHEMBL31083999 0.93 PIK3R1 (0.34) PIK3R1PIK3CAGPR119CKS1BSKP1
SCHEMBL31002984 0.86 CACNA1B (0.34) PIK3R1PIK3CA
SCHEMBL31002983 0.85 PIK3R1 (0.32) PIK3R1PIK3CA
Nerandomilast SCHEMBL14734178 0.84 PIK3R1 (0.34) PIK3R1PIK3CA
Nerandomilast SCHEMBL25606332 0.84 PIK3R1 (0.34) PIK3R1PIK3CA
SCHEMBL31084026 0.83 — —
SCHEMBL31084045 0.81 PIK3R1 (0.30) PIK3R1PIK3CA
SCHEMBL30678851 0.81 PIK3R1 (0.33) PIK3R1PIK3CA
SCHEMBL31438850 0.81 PIK3R1 (0.33) PIK3R1PIK3CA
SCHEMBL31083968 0.80 PIK3R1 (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4674852-A1 PREPARATION METHOD FOR AND USE OF DIHYDROTHIENOPYRIMIDINE DERIVATIVE Innovstone Therapeutics Limited (CN) 2026-01-07 — — EP disclosed
WO-2024179493-A1 PREPARATION METHOD FOR AND USE OF DIHYDROTHIENOPYRIMIDINE DERIVATIVE 上海翊石医药科技有限公司 2024-09-06 — — WO disclosed
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