SCHEMBL28059009

SCHEMBL28059009

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 4/20 0.42
CCNT1 O60563 3/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CDK7 P50613 3/20 0.42
CDK9 P50750 3/20 0.42
CCNH P51946 3/20 0.42
AURKA O14965 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
ABL1 P00519 1/20 0.42
CDK4 P11802 1/20 0.42

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
SCHEMBL28059019 0.89 PIK3CA (0.46) MEN1KMT2ATDP1L3MBTL1NPC1
SCHEMBL28059057 0.78 MAPT (0.55) MEN1KMT2APOLBNPC1CCNT1
SCHEMBL5789745 0.76 CDK4 (0.62) MEN1KMT2AGAATDP1NPC1
SCHEMBL28059033 0.76 SORT1 (0.44) MEN1KMT2AGAAPOLBNPC1
SCHEMBL28059092 0.75 MAPK14 (0.52) MEN1KMT2AGAATDP1L3MBTL1
SCHEMBL28826932 0.72 XIAP (0.47) CCNT1CCNA2CDK2CDK9CDK4
SCHEMBL28059017 0.72 CDK4 (0.64) MEN1KMT2AGAATDP1NPC1
SCHEMBL28059001 0.72 MAPK10 (0.61) MEN1KMT2AGAATDP1POLB
SCHEMBL28059002 0.71 PIK3C3 (0.52) MEN1KMT2ATDP1L3MBTL1NPC1
Morpholine SCHEMBL28059098 0.71 MAPK10 (0.46) MEN1KMT2AGAANPC1CCNT1

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