Sugi Predict

Sugi Predict / Compounds / SCHEMBL29014101

SCHEMBL29014101

SCHEMBL29014101

Cc1cccc(-n2nc(OC(N)=O)cc2-c2ccc3ncsc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 14/20 0.43
▸ PDE10A Q9Y233 1/20 0.38
▸ PFKFB3 Q16875 3/20 0.38
▸ ACVR1B P36896 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL20955667 0.85 TGFBR1 (0.47) TGFBR1PDE10APFKFB3ACVR1BDYRK1A
SCHEMBL20978891 0.83 TGFBR1 (0.57) TGFBR1PFKFB3ACVR1BDYRK1A
SCHEMBL20955450 0.82 TGFBR1 (0.46) TGFBR1ACVR1B
SCHEMBL30449529 0.82 TGFBR1 (0.46) TGFBR1ACVR1B
SCHEMBL25335024 0.82 DYRK1A (0.48) TGFBR1PFKFB3ACVR1BDYRK1AIRAK4
SCHEMBL30449603 0.82 DYRK1A (0.48) TGFBR1PFKFB3ACVR1BDYRK1AIRAK4
Hydrochloric Acid SCHEMBL30517170 0.81 DYRK1A (0.47) TGFBR1PFKFB3ACVR1BDYRK1AIRAK4
Hydrochloric Acid SCHEMBL25336181 0.81 DYRK1A (0.47) TGFBR1PFKFB3ACVR1BDYRK1AIRAK4
SCHEMBL25336136 0.81 TGFBR1 (0.45) TGFBR1PDE10APFKFB3ACVR1B
SCHEMBL20955280 0.80 TGFBR1 (0.44) TGFBR1PDE10APFKFB3

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
CN-116249692-A Pyrazole compound as well as preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-06-09 — — CN disclosed