SCHEMBL2902816

SCHEMBL2902816

COc1ccc(-c2ncccc2CNC2CCCN(S(C)(=O)=O)C2)nc1O[C@@H]1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
SYK P43405 3/20 0.37
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
JAK2 O60674 9/20 0.36
JAK3 P52333 8/20 0.36
JAK1 P23458 2/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MTOR P42345 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
SCHEMBL2910850 0.92 MAPT (0.39) SYKMAPTHSD17B10RXFP1
SCHEMBL2909504 0.86 SYK (0.41) PDCD1CD274SYKMTOR
SCHEMBL2909862 0.84 GSK3B (0.38) SYKMAPTTP53HSD17B10
SCHEMBL2910038 0.70 SYK (0.39) SYK
SCHEMBL2907636 0.70 PDE4A (0.41) PIK3CDPIK3R1PIK3CAMAPTTP53
SCHEMBL2902820 0.66 KMT2A (0.34) PIK3CDPIK3R1PIK3CATP53HSD17B10
SCHEMBL2908814 0.66 KMT2A (0.34) PIK3CDPIK3R1PIK3CATP53HSD17B10
SCHEMBL2901841 0.64 VCP (0.43)
SCHEMBL2901839 0.64 VCP (0.43)
SCHEMBL2906226 0.63 CCNT1 (0.41) 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