SCHEMBL28059019

SCHEMBL28059019

Cc1nc(NC(=O)C(F)(F)F)sc1-c1ccnc(Nc2cccc(NC(=O)C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.46
PIK3CG P48736 5/20 0.46
PIK3CD O00329 4/20 0.46
PIK3CB P42338 4/20 0.46
PI4KB Q9UBF8 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MITF O75030 1/20 0.43
GAK O14976 1/20 0.42
PRKACG P22612 1/20 0.42
PIK3R1 P27986 1/20 0.42
MTOR P42345 1/20 0.42
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL28059009 0.89 MEN1 (0.46) PIK3CAL3MBTL1RAB9AMEN1KMT2A
SCHEMBL28059057 0.88 MAPT (0.55) PIK3CAPIK3CGPIK3CDPIK3CBRAB9A
SCHEMBL28826932 0.77 XIAP (0.47) PIK3CAPIK3CGPIK3CDPIK3CBPI4KB
SCHEMBL28059018 0.74 MEN1 (0.56) PIK3CAPIK3CGPIK3CDPIK3CBRAB9A
SCHEMBL28059095 0.70 MAPK14 (0.58) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL28059005 0.70 MAPT (0.54) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL28059091 0.70 MAPK14 (0.53) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL28059008 0.69 MAPK14 (0.54) PIK3CAPIK3CGPIK3CDPIK3CBMEN1
SCHEMBL20981664 0.67 L3MBTL1 (0.82) L3MBTL1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5047340 0.67 GAA (0.58) PIK3CAPIK3CGPIK3CDPIK3CBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN claimed
CN-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN disclosed