SCHEMBL17768108

SCHEMBL17768108

Cc1ccc(NC(=O)N2c3nc(-c4ccnc(C)c4)ccc3N3CCC2C3)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 16/20 0.43
▸ KIT P10721 2/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ ABL1 P00519 1/20 0.38

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
SCHEMBL16754297 1.00 WNT3A (0.43) WNT3AKITPSEN1PSEN2APH1B
SCHEMBL17618706 0.92 HTR2C (0.41) WNT3A
SCHEMBL19689778 0.92 HTR2C (0.41) WNT3A
SCHEMBL16754671 0.92 HRH3 (0.38) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL16754574 0.91 WNT3A (0.41) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL17778222 0.91 WNT3A (0.41) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL16754500 0.90 IRAK4 (0.37) WNT3AKITPSEN1PSEN2APH1B
SCHEMBL17618695 0.89 BTK (0.39) WNT3A
SCHEMBL16754293 0.89 PRMT5 (0.38) WNT3AKITABL1
SCHEMBL17770596 0.89 PRMT5 (0.38) WNT3AKITABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 — — EP disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
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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