SCHEMBL3364837

SCHEMBL3364837

CN1CCCN(c2cncc(-c3cccc(CC=O)c3)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 12/20 0.72
PIM1 P11309 2/20 0.63
CSNK2A2 P19784 1/20 0.63
CSNK2A1 P68400 1/20 0.63
RAD52 P43351 1/20 0.47
DYRK1A Q13627 1/20 0.43
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 4/20 0.42
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL2214990 0.85 PIM2 (0.74) PIM2PIM1CSNK2A2CSNK2A1RAD52
SCHEMBL2213805 0.84 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1RAD52
SCHEMBL3363434 0.83 PIM2 (0.59) PIM2PIM1CSNK2A2CSNK2A1RAD52
SCHEMBL3364833 0.81 PIM2 (0.68) PIM2PIM1CSNK2A2CSNK2A1RAD52
SCHEMBL2212264 0.78 PIM2 (0.74) PIM2PIM1CSNK2A2CSNK2A1RAD52
SCHEMBL2212257 0.78 PIM2 (0.74) PIM2PIM1CSNK2A2CSNK2A1RAD52
SCHEMBL2214184 0.78 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2212990 0.78 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL3363431 0.77 PIM2 (0.58) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL2211571 0.77 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1RAD52

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
WO-2010148351-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed