SCHEMBL21936455

SCHEMBL21936455

Cn1c2c(c(=O)n(C)c1=O)N(CC(=O)Nc1ccc(-c3ccncc3)nn1)CN2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PORCN Q9H237 10/20 0.51
▸ CYP3A4 P08684 5/20 0.45
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAP2K5 Q13163 1/20 0.39
▸ RIOK2 Q9BVS4 1/20 0.39
▸ WNT3A P56704 4/20 0.37
▸ MAPT P10636 1/20 0.35

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
SCHEMBL21935727 0.93 PORCN (0.58) PORCNCYP3A4CYP2D6CYP1A2KCNH2
SCHEMBL20079782 0.76 MAPK14 (0.40) PORCNCYP3A4CYP1A2WNT3AMAPT
SCHEMBL17626334 0.75 PORCN (0.85) PORCNCYP1A2MAPT
SCHEMBL20161623 0.74 ALDH1A1 (0.46) MAPT
SCHEMBL16835775 0.70 PORCN (0.84) PORCNCYP3A4CYP2D6CYP1A2KCNH2
SCHEMBL21133501 0.70 TP53 (0.55) MAPT
SCHEMBL21935472 0.69 DCTPP1 (0.46) MAPT
SCHEMBL21935831 0.69 DEGS1 (0.47) WNT3AMAPT
SCHEMBL20079704 0.68 TRPA1 (0.37) CYP3A4CYP1A2MAPT
Etc-159 SCHEMBL17626176 0.67 PORCN (1.00) PORCNCYP1A2

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-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 — — EP disclosed
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