SCHEMBL30397478

SCHEMBL30397478

CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(C(F)(F)F)cn2)C[C@@H](C(=O)NNc2cc(C#N)ccn2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.39
GPR119 Q8TDV5 4/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
TACR1 P25103 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
HCRTR2 O43614 2/20 0.35
HCRTR1 O43613 3/20 0.35
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL25243408 1.00 SYK (0.39) SYKGPR119IRAK4TACR1BRAF
SCHEMBL25533413 0.78 USP30 (0.40) SYKGPR119TACR1USP30
SCHEMBL25234548 0.78 USP30 (0.40) SYKGPR119TACR1USP30
SCHEMBL25419655 0.77 IDH1 (0.41) SYKTACR1HCRTR1USP30
SCHEMBL25438402 0.77 IDH1 (0.41) SYKTACR1HCRTR1USP30
SCHEMBL25533403 0.77 IDH1 (0.41) SYKTACR1HCRTR1USP30
SCHEMBL26126144 0.77 IRAK4 (0.48) GPR119IRAK4HCRTR2HCRTR1
SCHEMBL26126417 0.77 MAPT (0.45) SYKGPR119TACR1HCRTR1USP30
SCHEMBL25533466 0.76 GPR119 (0.38) GPR119IRAK4TACR1HCRTR1
SCHEMBL28544531 0.71 USP30 (0.51) SYKUSP30

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