SCHEMBL30328474

SCHEMBL30328474

CC(C)(C)OC(=O)N1CC2(CCN(c3cnc4cnn(CC(F)F)c4n3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
EIF2AK4 Q9P2K8 2/20 0.41
RET P07949 8/20 0.40
JAK3 P52333 1/20 0.38
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
ACACB O00763 2/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PARP1 P09874 1/20 0.36
GRIN2B Q13224 1/20 0.36
PIK3CD O00329 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
SCHEMBL30328257 0.95 CYP11B2 (0.42) CYP11B2EIF2AK4RETCKS1BSKP1
SCHEMBL30328854 0.91 RET (0.42) CYP11B2EIF2AK4RETCKS1BSKP1
SCHEMBL30329127 0.86 GRIN2B (0.38) JAK3GRIN2B
SCHEMBL25163744 0.85 CYP11B2 (0.41) CYP11B2EIF2AK4RETACACBPIK3CA
SCHEMBL25163743 0.84 CYP11B2 (0.40) CYP11B2EIF2AK4RETACACBPIK3CA
SCHEMBL25163962 0.81 GRIN2B (0.38) JAK3GRIN2B
SCHEMBL30328836 0.81 GRIN2B (0.38) JAK3GRIN2B
SCHEMBL25164246 0.81 CYP3A4 (0.49)
SCHEMBL30329504 0.81 CYP3A4 (0.49)
SCHEMBL25163849 0.81 VNN1 (0.42) JAK3GRIN2B

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-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed