SCHEMBL19364888

SCHEMBL19364888

C[C@@H]1CCN(C)c2ccc(-c3ccnc(F)c3)nc2N1C(=O)Nc1cnccn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 5/20 0.39
▸ HIF1A Q16665 1/20 0.37
▸ KARS1 Q15046 4/20 0.37
▸ GSK3B P49841 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MTOR P42345 2/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ MINK1 Q8N4C8 1/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ FAAH O00519 1/20 0.34

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
SCHEMBL19365270 0.91 WNT3A (0.40) WNT3AKARS1GSK3BDYRK1AMTOR
SCHEMBL19365751 0.85 GSK3B (0.38) GSK3BDYRK1AMAPTMTORFAAH
SCHEMBL19670360 0.85 KARS1 (0.40) KARS1GSK3BDYRK1AMAPT
SCHEMBL19365299 0.84 FGFR4 (0.40) WNT3AGSK3BMTORFAAH
SCHEMBL19365743 0.84 THRB (0.40) KARS1GSK3BDYRK1AMTORTNIK
SCHEMBL19365269 0.84 KARS1 (0.45) KARS1GSK3BDYRK1AIRAK4FAAH
SCHEMBL19364853 0.83 KARS1 (0.41) HIF1AKARS1GSK3BDYRK1AFAAH
SCHEMBL19365526 0.83 KARS1 (0.41) HIF1AKARS1GSK3BDYRK1AFAAH
SCHEMBL17618560 0.82 WNT3A (0.40) WNT3AKARS1GSK3BMAPTMAP4K4
SCHEMBL19365313 0.81 KMT2A (0.37) HIF1AGSK3BDYRK1AMAPTFAAH

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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