SCHEMBL19365639

SCHEMBL19365639

NCc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 7/20 0.38
▸ PIM3 Q86V86 5/20 0.38
▸ WNT1 P04628 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ BTK Q06187 5/20 0.35
▸ FAAH O00519 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ PIM1 P11309 3/20 0.34
▸ ATR Q13535 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP11B2 P19099 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
SCHEMBL19365550 0.91 PIM2 (0.37) PIM2PIM3FAAHPIM1ATR
SCHEMBL17618633 0.88 GRM5 (0.39) PIM2PIM3DYRK1AGRM5BTK
SCHEMBL17618686 0.88 GSK3B (0.37) PIM2PIM3DYRK1AGRM5BTK
SCHEMBL17618714 0.88 PRMT5 (0.40) PIM2PIM3DYRK1AGRM5BTK
SCHEMBL17618661 0.87 PIM3 (0.44) PIM2PIM3GRM5BTKFAAH
SCHEMBL19365637 0.87 PIM2 (0.35) PIM2PIM3DYRK1AGRM5BTK
SCHEMBL16238662 0.86 TRPV1 (0.39) PIM2PIM3DYRK1APIM1
SCHEMBL16238017 0.86 TRPV1 (0.39) PIM2PIM3DYRK1APIM1
SCHEMBL17618752 0.86 GSK3B (0.39) PIM2PIM3DYRK1ABTKDGAT2
SCHEMBL17618606 0.85 PIK3C3 (0.40) PIM2PIM3DYRK1ABTKDGAT2

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