SCHEMBL19997380

SCHEMBL19997380

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccn3)cn2)N(C)C1O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 9/20 0.44
▸ PORCN Q9H237 3/20 0.41
▸ TRPA1 O75762 3/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 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
SCHEMBL19626366 0.84 PORCN (0.42) WNT3APORCNTRPA1
SCHEMBL23416909 0.82 PORCN (0.58) WNT3APORCNTRPA1
SCHEMBL19626637 0.80 PORCN (0.51) WNT3APORCN
SCHEMBL23416896 0.79 PORCN (0.49) PORCNTRPA1
SCHEMBL19997369 0.79 PORCN (0.47) WNT3APORCNTRPA1
SCHEMBL23416906 0.79 PORCN (0.48) WNT3APORCN
SCHEMBL19997382 0.78 PORCN (0.40) PORCNTRPA1
SCHEMBL21935695 0.78 PORCN (0.46) PORCNTRPA1
SCHEMBL19590943 0.78 GAA (0.45) —
SCHEMBL21413005 0.77 GRM5 (0.37) PORCNTRPA1

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
US-9926320-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-27 — — US disclosed
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