SCHEMBL2906226

SCHEMBL2906226

COc1ccc(NCc2cccnc2C2CCCNC2)nc1O[C@@H]1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.41
CDK9 P50750 6/20 0.41
SYK P43405 7/20 0.39
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM4 Q14833 4/20 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
SCHEMBL2909451 0.81 SYK (0.38) SYKCYP3A4CYP2C19GRM4
SCHEMBL5655346 0.70 IRAK4 (0.36)
SCHEMBL2909504 0.69 SYK (0.41) SYK
SCHEMBL2908516 0.68 CHRNB2 (0.40) SYK
SCHEMBL2910038 0.66 SYK (0.39) SYKGRM4
SCHEMBL2905403 0.64 PDE4D (0.44)
SCHEMBL2903176 0.64 PDE4D (0.44)
SCHEMBL2901842 0.62 PDE4D (0.38) SYK
SCHEMBL30450714 0.61 GRM4 (0.43) CCNT1GRM4
SCHEMBL4136062 0.61 PDE4D (0.37) SYK

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
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP claimed