SCHEMBL19670355

SCHEMBL19670355

Cc1cc(-c2ccc3c(n2)N(C(O)Nc2cccnc2)[C@H]2CCCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 10/20 0.37
▸ ROCK2 O75116 4/20 0.37
▸ ROCK1 Q13464 4/20 0.37
▸ CDC42BPB Q9Y5S2 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GRM5 P41594 1/20 0.34
▸ CDC42BPA Q5VT25 3/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL20733178 0.89 MAPK1 (0.35) PIM1ROCK2ROCK1CDC42BPBALDH1A1
SCHEMBL19670633 0.88 WNT3A (0.34) PIM1MAPK1
SCHEMBL19706212 0.85 HRH3 (0.34) PIM1ROCK2ROCK1MAPTGRM5
SCHEMBL19670538 0.84 ROCK1 (0.34) ROCK2ROCK1CDC42BPBCDC42BPAMAPK1
SCHEMBL20733313 0.82 MAPK1 (0.34) GRM5MAPK1
SCHEMBL16776482 0.82 ALDH1A1 (0.42) PIM1ALDH1A1MAPTGRM5PIM3
SCHEMBL19706731 0.80 OGA (0.39) PIM1MAPK1
SCHEMBL19670481 0.80 KARS1 (0.41) ALDH1A1MAPTMAPK1
SCHEMBL19670625 0.80 HRH3 (0.33) MAPK1
SCHEMBL19706138 0.78 WNT3A (0.33) MAPK1

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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