SCHEMBL28569401

SCHEMBL28569401

COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCCCC(=O)O)c4)nc3c2)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 20/20 0.87
HDAC1 Q13547 11/20 0.87
FGFR2 P21802 10/20 0.87
FGFR4 P22455 10/20 0.87
FGFR3 P22607 10/20 0.87
HDAC2 Q92769 2/20 0.87
HDAC8 Q9BY41 2/20 0.87
HDAC6 Q9UBN7 2/20 0.87
KDR P35968 8/20 0.78
FLT3 P36888 1/20 0.78
ADORA3 P0DMS8 1/20 0.72
CHRM1 P11229 1/20 0.72
ADRA2C P18825 1/20 0.72
SLC6A2 P23975 1/20 0.72
SLC6A4 P31645 1/20 0.72
DRD3 P35462 1/20 0.72
OPRD1 P41143 1/20 0.72
ETV6 P41212 1/20 0.72
HTR2B P41595 1/20 0.72
SLC6A3 Q01959 1/20 0.72

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
SCHEMBL28563004 1.00 FGFR1 (0.87) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28562982 1.00 FGFR1 (0.87) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28574037 1.00 FGFR1 (0.87) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28580326 0.97 FGFR1 (0.86) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28575308 0.95 FGFR1 (0.79) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28582694 0.95 FGFR1 (0.79) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28575313 0.95 FGFR1 (0.79) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28575311 0.94 FGFR1 (0.86) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28564179 0.93 FGFR1 (1.00) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28563501 0.93 FGFR1 (1.00) FGFR1HDAC1FGFR2FGFR4FGFR3

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-112920167-B Double-target inhibitor targeting FGFR and HDAC, preparation method and application thereof, pharmaceutical composition and medicament 四川大学华西医院 2022-08-26 CN disclosed
CN-112920167-A Double-target inhibitor targeting FGFR and HDAC, preparation method and application thereof, pharmaceutical composition and medicament 四川大学华西医院 2021-06-08 CN disclosed