SCHEMBL29913029

SCHEMBL29913029

Clc1cncc(-c2nncs2)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.36
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL29193359 1.00 CDK2 (0.36) CDK2CYP11B2CYP11B1IDH1
SCHEMBL25154148 0.78 CYP11B1 (0.33) CYP11B2CYP11B1
SCHEMBL25163467 0.74
SCHEMBL29787024 0.69 HDAC1 (0.41)
SCHEMBL30785467 0.69 HDAC1 (0.41)
SCHEMBL27157291 0.69 CDK2 (0.35) CDK2CYP11B2CYP11B1
SCHEMBL25164721 0.67
SCHEMBL138054 0.64
SCHEMBL539031 0.63 FBP1 (0.32)
SCHEMBL21366196 0.62 COMT (0.32) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
CN-117751114-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-22 CN disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
EP-4329880-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed
WO-2022232360-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed