SCHEMBL19365637

SCHEMBL19365637

N=Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 3/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ BTK Q06187 8/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ PIM1 P11309 1/20 0.32

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
SCHEMBL19365551 0.91 PIM2 (0.34) PIM2PIM3GSK3BFAAHPIM1
SCHEMBL19706239 0.90 BTK (0.34) PIM2PIM3GRM5FGFR4BTK
SCHEMBL17618714 0.89 PRMT5 (0.40) PIM2PIM3GRM5FGFR4BTK
SCHEMBL17618686 0.89 GSK3B (0.37) PIM2PIM3TRPV1GRM5BTK
SCHEMBL17618633 0.89 GRM5 (0.39) PIM2PIM3GRM5BTKDGAT2
SCHEMBL16238017 0.88 TRPV1 (0.39) PIM2PIM3TRPV1DYRK1APIM1
SCHEMBL16238662 0.88 TRPV1 (0.39) PIM2PIM3TRPV1DYRK1APIM1
SCHEMBL17618661 0.88 PIM3 (0.44) PIM2PIM3GRM5BTKFAAH
SCHEMBL19365639 0.87 PIM2 (0.38) PIM2PIM3GRM5BTKDGAT2
SCHEMBL17618752 0.87 GSK3B (0.39) PIM2PIM3BTKDGAT2GSK3B

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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