SCHEMBL31163053

SCHEMBL31163053

COc1cc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.56
▸ JAK1 P23458 6/20 0.53
▸ JAK2 O60674 4/20 0.53
▸ JAK3 P52333 6/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ LRRK2 Q5S007 1/20 0.50
▸ CCNT1 O60563 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CDK7 P50613 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ CCNH P51946 1/20 0.50
▸ EGFR P00533 1/20 0.49
▸ BTK Q06187 1/20 0.49
▸ BUB1B O60566 1/20 0.48
▸ RET P07949 1/20 0.48
▸ BRD2 P25440 1/20 0.48
▸ WEE1 P30291 1/20 0.48

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
SCHEMBL25381155 0.90 JAK1 (0.59) BRD4JAK1JAK2JAK3CCNT1
SCHEMBL30565219 0.90 JAK1 (0.55) BRD4JAK1JAK2JAK3LRRK2
SCHEMBL25381910 0.90 JAK1 (0.55) BRD4JAK1JAK2JAK3LRRK2
SCHEMBL25381831 0.83 BRD4 (0.69) BRD4JAK1JAK2JAK3LRRK2
SCHEMBL25383250 0.83 BRD4 (0.69) BRD4JAK1JAK2JAK3LRRK2
SCHEMBL30565221 0.83 BRD4 (0.69) BRD4JAK1JAK2JAK3LRRK2
SCHEMBL30565217 0.83 BRD4 (0.69) BRD4JAK1JAK2JAK3LRRK2
SCHEMBL10267648 0.82 JAK1 (0.53) BRD4JAK1JAK2JAK3CCNT1
SCHEMBL270247 0.82 BRD4 (0.54) BRD4JAK1JAK2JAK3LRRK2
SCHEMBL31163162 0.81 BRD4 (0.72) BRD4JAK1JAK2JAK3BUB1B

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-4673149-A1 NEW COMPOUNDS AND TREATMENT OF RENAL CELL CARCINOMA Trustlife Global Inc. (US) 2026-01-07 — — EP disclosed
WO-2024179699-A1 NEW COMPOUNDS AND TREATMENT OF RENAL CELL CARCINOMA BASH BIOTECH INC. (US) 2024-09-06 — — WO disclosed
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