SCHEMBL30565226

SCHEMBL30565226

Nc1nccc(Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.64
JAK2 O60674 1/20 0.56
JAK3 P52333 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
POLB P06746 2/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNA5 P22460 1/20 0.49
MAPT P10636 1/20 0.49
ERBB2 P04626 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
SCHEMBL3458402 0.83 JAK2 (0.56) JAK2JAK3MEN1KMT2AATM
SCHEMBL29025269 0.81 KMT2A (0.55) JAK2JAK3MEN1KMT2AATM
SCHEMBL30023094 0.80 KMT2A (0.65) JAK2JAK3MEN1KMT2AATM
SCHEMBL11178043 0.80 ROCK1 (0.78) ROCK1JAK2JAK3HTR3EHTR3B
SCHEMBL12968948 0.79 ROCK1 (1.00) ROCK1JAK2JAK3HTR3EHTR3B
SCHEMBL4377112 0.78 CDK1 (0.61) JAK2JAK3
SCHEMBL15831241 0.78 ROCK1 (1.00) ROCK1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL12813344 0.78 ROCK1 (0.97) ROCK1JAK2JAK3HTR3EHTR3B
SCHEMBL411428 0.77 KCNA5 (0.51) MEN1KMT2AATMPOLBPKM
SCHEMBL14024354 0.77 JAK3 (0.57) JAK2JAK3MEN1KMT2AATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486348-A1 NEW COMPOUNDS AND TREATMENT OF RENAL CELL CARCINOMA Trustlife Global Inc. (US) 2025-01-08 EP disclosed
CN-118804751-A New compounds and treatment of renal cell carcinoma 巴什生物技术公司 2024-10-18 CN disclosed
WO-2023166153-A1 NEW COMPOUNDS AND TREATMENT OF RENAL CELL CARCINOMA BASH BIOTECH INC (US) 2023-09-07 WO disclosed