SCHEMBL18974095

SCHEMBL18974095

C=C(NCc1cnc(-c2ccnc(C)c2)c(C)c1)c1cc(-c2ccccc2)nn1C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 11/20 0.50
▸ PHGDH O43175 1/20 0.43
▸ PORCN Q9H237 1/20 0.40

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
SCHEMBL20508136 0.89 PHGDH (0.57) WNT3APHGDH
SCHEMBL18974101 0.81 L3MBTL1 (0.50) WNT3APHGDHPORCN
SCHEMBL28505642 0.77 WNT3A (0.55) WNT3APORCN
SCHEMBL18962591 0.76 WNT3A (0.56) WNT3APORCN
SCHEMBL20508205 0.76 PPARG (0.54) WNT3A
SCHEMBL28516218 0.74 WNT3A (0.54) WNT3APORCN
SCHEMBL28506130 0.74 WNT3A (0.54) WNT3APORCN
SCHEMBL20507904 0.73 WNT3A (0.55) WNT3A
SCHEMBL18974328 0.72 WNT3A (0.52) WNT3A
SCHEMBL18962592 0.72 WNT3A (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017097216-A9 FIVE-MEMBERED HETEROCYCLIC AMIDES WNT PATHWAY INHIBITOR 杭州雷索药业有限公司 2017-11-23 — — WO disclosed
WO-2017097216-A1 FIVE-MEMBERED HETEROCYCLIC AMIDES WNT PATHWAY INHIBITOR 杭州雷索药业有限公司 2017-06-15 — — WO disclosed
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