SCHEMBL19670504

SCHEMBL19670504

Cc1cc(-c2ccc3c(n2)N(C(O)Nc2nccc4[nH]cnc24)[C@H]2CCN3C2)ccn1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.32
▸ PIM1 P11309 3/20 0.31
▸ USP30 Q70CQ3 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL19706215 0.90 MAP4K4 (0.34) USP30JAK3
SCHEMBL19706928 0.86 HRH3 (0.33) MAPK1USP30HRH3
SCHEMBL19670481 0.83 KARS1 (0.41) MAPK1HRH3
SCHEMBL19670625 0.83 HRH3 (0.33) MAPK1USP30HRH3
SCHEMBL19670633 0.82 WNT3A (0.34) MAPK1PIM1HRH3
SCHEMBL16754289 0.82 MAPK1 (0.34) MAPK1USP30CCNE1CDK2JAK3
SCHEMBL19670538 0.81 ROCK1 (0.34) MAPK1USP30JAK3HRH3
SCHEMBL19706212 0.80 HRH3 (0.34) MAPK1PIM1JAK3HRH3
SCHEMBL19706138 0.80 WNT3A (0.33) MAPK1JAK3HRH3
SCHEMBL19670355 0.76 PIM1 (0.37) MAPK1PIM1

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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