SCHEMBL30397933

SCHEMBL30397933

CC1CCC(Nc2ncc(C(F)(F)F)cn2)CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ CCNK O75909 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ HCRTR1 O43613 15/20 0.41
▸ HCRTR2 O43614 7/20 0.41
▸ TIPARP Q7Z3E1 1/20 0.38

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
SCHEMBL30397528 0.85 PTGDR2 (0.39) PTGDR2CCNKCDK12HCRTR1HCRTR2
SCHEMBL25228876 0.85 PTGDR2 (0.39) PTGDR2CCNKCDK12HCRTR1HCRTR2
SCHEMBL30397591 0.79 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL25226608 0.79 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL27233778 0.79 CDK12 (0.56) PTGDR2CCNKCDK12HCRTR1TIPARP
SCHEMBL27233705 0.79 CDK12 (0.56) PTGDR2CCNKCDK12HCRTR1TIPARP
SCHEMBL27233710 0.79 CDK12 (0.56) PTGDR2CCNKCDK12HCRTR1TIPARP
SCHEMBL26120478 0.78 CCNK (0.47) PTGDR2CCNKCDK12HCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL25223128 0.72 HCRTR1 (0.39) PTGDR2CCNKCDK12HCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL30397876 0.72 HCRTR1 (0.39) PTGDR2CCNKCDK12HCRTR1HCRTR2

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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