SCHEMBL25533466

SCHEMBL25533466

CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(C(F)(F)F)cn2)C[C@@H](c2nnc3cc(C#N)ccn23)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
EGLN2 Q96KS0 2/20 0.36
MAPT P10636 1/20 0.35
HCRTR1 O43613 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
TACR1 P25103 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 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
SCHEMBL25533792 0.90 IGF1R (0.36) IRAK4EGLN2HCRTR1
SCHEMBL30398131 0.88 CHRM2 (0.35) HCRTR1
SCHEMBL25417681 0.78 CCNK (0.48)
SCHEMBL30397478 0.76 SYK (0.39) GPR119IRAK4HCRTR1TACR1
SCHEMBL25243408 0.76 SYK (0.39) GPR119IRAK4HCRTR1TACR1
SCHEMBL26126417 0.76 MAPT (0.45) GPR119MAPTHCRTR1TRPV1TACR1
SCHEMBL25234548 0.74 USP30 (0.40) GPR119MAPTTRPV1TACR1EGFR
SCHEMBL25533413 0.74 USP30 (0.40) GPR119MAPTTRPV1TACR1EGFR
SCHEMBL25517516 0.73 DRD2 (0.43) IRAK4
SCHEMBL25438402 0.73 IDH1 (0.41) MAPTHCRTR1TRPV1TACR1EGFR

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