SCHEMBL25533413

SCHEMBL25533413

CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(C(F)(F)F)cn2)C[C@@H](C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
MAPT P10636 1/20 0.40
STS P08842 1/20 0.39
RORC P51449 1/20 0.39
TACR1 P25103 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
IDH1 O75874 2/20 0.38
SYK P43405 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ERBB3 P21860 1/20 0.38
ERBB4 Q15303 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
TIPARP Q7Z3E1 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
IDH2 P48735 1/20 0.36
SFRP1 Q8N474 2/20 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
SCHEMBL25234548 1.00 USP30 (0.40) USP30MAPTSTSRORCTACR1
SCHEMBL25419655 0.91 IDH1 (0.41) USP30MAPTSTSRORCTACR1
SCHEMBL25533403 0.91 IDH1 (0.41) USP30MAPTSTSRORCTACR1
SCHEMBL25438402 0.91 IDH1 (0.41) USP30MAPTSTSRORCTACR1
SCHEMBL26126417 0.90 MAPT (0.45) USP30MAPTSTSRORCTACR1
SCHEMBL23292270 0.84 USP30 (0.51) USP30MAPTSTSCCNKCDK12
SCHEMBL22895379 0.84 USP30 (0.51) USP30MAPTSTSCCNKCDK12
SCHEMBL28544531 0.84 USP30 (0.51) USP30MAPTSTSCCNKCDK12
SCHEMBL30915078 0.81 ALDH1A1 (0.53) USP30MAPTSTSCCNKCDK12
SCHEMBL30397478 0.78 SYK (0.39) USP30TACR1SYKGPR119

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed