SCHEMBL30397528

SCHEMBL30397528

C[C@H]1CC[C@@H](Nc2ncc(C(F)(F)F)cn2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ HCRTR1 O43613 12/20 0.39
▸ HCRTR2 O43614 7/20 0.38
▸ TIPARP Q7Z3E1 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ IDH1 O75874 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
SCHEMBL25228876 1.00 PTGDR2 (0.39) PTGDR2CCNKCDK12HCRTR1HCRTR2
SCHEMBL30397933 0.85 PTGDR2 (0.42) PTGDR2CCNKCDK12HCRTR1HCRTR2
SCHEMBL28544531 0.82 USP30 (0.51) CCNKCDK12TIPARPTRPV1SYK
SCHEMBL23292270 0.82 USP30 (0.51) CCNKCDK12TIPARPTRPV1SYK
SCHEMBL22895379 0.82 USP30 (0.51) CCNKCDK12TIPARPTRPV1SYK
SCHEMBL26126417 0.82 MAPT (0.45) CCNKCDK12HCRTR1TIPARPTRPV1
SCHEMBL30915078 0.80 ALDH1A1 (0.53) CCNKCDK12SYKIDH1
SCHEMBL16032562 0.77 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL16032559 0.77 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL30456591 0.77 HCRTR1 (0.43) HCRTR1SYK

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
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