SCHEMBL2566470

SCHEMBL2566470

CC(C)N(c1ccnc(C#N)n1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.47
KMO O15229 1/20 0.37
GPR4 P46093 2/20 0.37
HRH4 Q9H3N8 3/20 0.37
FGFR4 P22455 1/20 0.34
F2 P00734 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
CTSS P25774 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
SCHEMBL2228524 0.79 CTSK (0.50) CTSKKMOGPR4FGFR4MAPK1
SCHEMBL2227354 0.78 CTSK (0.53) CTSKKMOGPR4HRH4FGFR4
SCHEMBL3316538 0.76 CTSK (0.45) CTSKKMOGPR4HRH4FGFR4
SCHEMBL16922207 0.72 KMO (0.40) CTSKKMOGPR4F2LMNA
SCHEMBL8269410 0.72 CTSK (0.39) CTSKGPR4HRH4FGFR4CTSS
SCHEMBL8269960 0.70 CTSK (0.51) CTSKGPR4FGFR4LMNAHTT
SCHEMBL3315262 0.69 CTSK (0.61) CTSKKMOGPR4HRH4FGFR4
SCHEMBL5792575 0.69 CTSK (0.44) CTSKGPR4FGFR4CTSS
SCHEMBL109350 0.69
SCHEMBL30362276 0.69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed