SCHEMBL18962592

SCHEMBL18962592

C=C(C/C=C\Cc1ccccc1)NCc1cnc(-c2ccnc(C)c2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 9/20 0.46
▸ MAPK1 P28482 4/20 0.42
▸ PORCN Q9H237 1/20 0.41

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
SCHEMBL18962591 0.79 WNT3A (0.56) WNT3APORCN
SCHEMBL18962589 0.76 WNT3A (0.54) WNT3APORCN
SCHEMBL18962572 0.74 WNT3A (0.54) WNT3APORCN
SCHEMBL28505642 0.73 WNT3A (0.55) WNT3APORCN
SCHEMBL18974328 0.72 WNT3A (0.52) WNT3A
SCHEMBL18974095 0.72 WNT3A (0.50) WNT3APORCN
SCHEMBL20507976 0.71 WNT3A (0.51) WNT3A
SCHEMBL10259457 0.71 WNT3A (0.58) WNT3APORCN
SCHEMBL20508144 0.71 WNT3A (0.52) WNT3AMAPK1PORCN
SCHEMBL18962612 0.70 WNT3A (0.57) WNT3APORCN

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-2017097215-A1 WNT PATHWAY INHIBITOR EMBEDDED WITH UREAS STRUCTURE 杭州雷索药业有限公司 2017-06-15 — — WO disclosed
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