SCHEMBL19365751

SCHEMBL19365751

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H](C)CCN3C)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.38
▸ DYRK1A Q13627 6/20 0.38
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ MTOR P42345 3/20 0.35
▸ FAAH O00519 3/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PORCN Q9H237 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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 0.90 WNT3A (0.40) GSK3BDYRK1AABL1MTORPORCN
SCHEMBL19365426 0.90 GSK3B (0.41) GSK3BDYRK1AKCNH2HRH3ABL1
SCHEMBL19364888 0.85 WNT3A (0.39) GSK3BDYRK1AMTORFAAHMAPT
SCHEMBL19365284 0.85 BRD4 (0.40) ABL1MTOR
SCHEMBL19365313 0.83 KMT2A (0.37) GSK3BDYRK1AFAAHMAPTKDM4E
SCHEMBL16776023 0.83 GSK3B (0.36) GSK3BDYRK1AKCNH2HRH3ABL1
SCHEMBL17618518 0.83 PIK3CA (0.39) GSK3BDYRK1APIK3CAMTORFAAH
SCHEMBL19365743 0.83 THRB (0.40) GSK3BDYRK1AKCNH2MTORHDAC2
SCHEMBL19365269 0.83 KARS1 (0.45) GSK3BDYRK1AABL1FAAHHDAC1
SCHEMBL19670267 0.82 FGFR4 (0.41) GSK3BDYRK1AKCNH2HRH3ABL1

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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