Sugi Predict

Sugi Predict / Compounds / SCHEMBL17778718

SCHEMBL17778718

SCHEMBL17778718

Cc1cc(-c2nc3c(cc2F)N2CC[C@H](C2)N3C(=O)Nc2ccccn2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ WNT3A P56704 2/20 0.37
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL17767922 1.00 MAPK1 (0.38) MAPK1MAP3K5USP30WNT3AMAPK13
SCHEMBL17778224 0.92 WNT3A (0.41) MAPK1WNT3AMAPK14
SCHEMBL19689674 0.92 WNT3A (0.41) MAPK1WNT3AMAPK14
SCHEMBL17768059 0.91 WNT3A (0.36) MAPK1WNT3A
SCHEMBL17768096 0.90 VCP (0.39) MAP3K5MAPK13MAPK12MAPK11MAPK14
SCHEMBL17778337 0.90 VCP (0.39) MAP3K5MAPK13MAPK12MAPK11MAPK14
SCHEMBL19689791 0.90 WNT3A (0.40) MAPK1USP30WNT3A
SCHEMBL19706761 0.87 WNT3A (0.34) MAPK1WNT3AMAPK14
SCHEMBL17618509 0.86 WNT3A (0.41) MAP3K5WNT3A
SCHEMBL17768210 0.86 NTRK1 (0.39) MAPK1WNT3AMAPK14

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-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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