SCHEMBL25599716

SCHEMBL25599716

COc1cnc(Cl)nc1-c1cn(S(=O)(=O)c2ccccc2)c2cc(C#N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.42
▸ HTR2A P28223 8/20 0.41
▸ HTR7 P34969 5/20 0.41
▸ DRD2 P14416 8/20 0.40
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL28313363 0.86 HTR6 (0.53) HTR6HTR2AHTR7DRD2CYP3A4
SCHEMBL28312482 0.74 HTR6 (0.48) HTR6HTR2AHTR7DRD2CYP3A4
SCHEMBL26967514 0.74 HTR6 (0.41) HTR6HTR2AHTR7DRD2
SCHEMBL28862184 0.73 HTR6 (0.46) HTR6HTR2AHTR7DRD2CYP3A4
SCHEMBL29993908 0.73 HTR6 (0.46) HTR6HTR2AHTR7DRD2CYP3A4
SCHEMBL6039554 0.72 HTR6 (0.58) HTR6HTR2AHTR7DRD2CYP3A4
SCHEMBL29429815 0.72 HTR6 (0.56) HTR6HTR2AHTR7DRD2CYP3A4
SCHEMBL6039811 0.72 HTR6 (0.56) HTR6HTR2AHTR7DRD2CYP3A4
SCHEMBL6039808 0.70 HTR6 (0.55) HTR6HTR2AHTR7DRD2CYP3A4
SCHEMBL20190392 0.70 HTR6 (0.54) HTR6HTR2AHTR7DRD2CYP3A4

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
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
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