SCHEMBL19725069

SCHEMBL19725069

CC(=O)Nc1nc(C)c(C(C)c2ccc(O)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DYRK1A Q13627 6/20 0.47
PIK3CG P48736 6/20 0.45
PIK3CD O00329 5/20 0.45
PIK3CA P42336 4/20 0.45
PIK3CB P42338 4/20 0.45

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
SCHEMBL12894237 0.78 PIK3CG (0.54) GAAALDH1A1DYRK1APIK3CGPIK3CD
SCHEMBL48461 0.74 PIK3CG (0.76) GAAALDH1A1KDM4EMEN1USP2
SCHEMBL9570867 0.71 ALDH1A1 (0.47) GAAALDH1A1DYRK1APIK3CGPIK3CD
SCHEMBL24599388 0.69 ALDH1A1 (0.48) ALDH1A1LMNATSHRPIK3CGPIK3CD
SCHEMBL2835357 0.68 RXFP1 (0.70) GAAALDH1A1KDM4EMEN1LMNA
SCHEMBL28504020 0.68 JAK2 (0.77) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL24624393 0.67 PIK3CD (0.46) MAPTDYRK1APIK3CGPIK3CDPIK3CA
SCHEMBL155142 0.67 RAB9A (0.57) ALDH1A1MEN1MAPTKMT2APIK3CG
SCHEMBL2895656 0.66 NR3C1 (0.56) MEN1MAPTKMT2ARXFP1FFAR2
SCHEMBL10963101 0.66 ALDH1A1 (0.45) GAAALDH1A1PIK3CGPIK3CDPIK3CA

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-2986604-B1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-12-20 EP disclosed