SCHEMBL19670325

SCHEMBL19670325

O=C(Nc1ccccn1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.39
▸ DYRK1A Q13627 5/20 0.39
▸ ABL1 P00519 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PORCN Q9H237 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FAAH O00519 2/20 0.35
▸ TNF P01375 1/20 0.34
▸ CHRM4 P08173 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
SCHEMBL19365582 1.00 GSK3B (0.39) GSK3BDYRK1AABL1JAK2NTRK1
SCHEMBL19670319 0.91 FAAH (0.42) GSK3BDYRK1AJAK2NTRK1TRPV1
SCHEMBL19364826 0.91 FAAH (0.42) GSK3BDYRK1AJAK2NTRK1TRPV1
SCHEMBL19365398 0.90 PRMT5 (0.40) GSK3BDYRK1ANTRK1MEN1HTT
SCHEMBL19365399 0.90 PRMT5 (0.40) GSK3BDYRK1ANTRK1MEN1HTT
SCHEMBL19365792 0.88 MEN1 (0.38) GSK3BDYRK1AABL1TRPV1MEN1
SCHEMBL19365301 0.87 GSK3B (0.41) GSK3BDYRK1AABL1MEN1HTT
SCHEMBL19670317 0.87 DYRK1A (0.42) GSK3BDYRK1ACYP3A4
SCHEMBL19365296 0.87 DYRK1A (0.42) GSK3BDYRK1ACYP3A4
SCHEMBL19670224 0.87 GSK3B (0.41) GSK3BDYRK1AABL1MEN1HTT

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