SCHEMBL28575376

SCHEMBL28575376

COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCC(=O)NO)c4)nc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 20/20 1.00
HDAC1 Q13547 12/20 1.00
FGFR2 P21802 7/20 0.94
FGFR4 P22455 7/20 0.94
FGFR3 P22607 7/20 0.94
HDAC2 Q92769 2/20 0.94
HDAC8 Q9BY41 2/20 0.94
HDAC6 Q9UBN7 2/20 0.94
KDR P35968 5/20 0.77
FLT3 P36888 1/20 0.76

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
SCHEMBL28567961 0.98 FGFR1 (1.00) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28564179 0.97 FGFR1 (1.00) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28577091 0.97 FGFR1 (1.00) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28563501 0.97 FGFR1 (1.00) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28574017 0.96 FGFR1 (1.00) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28580326 0.93 FGFR1 (0.86) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28572355 0.93 FGFR1 (0.91) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28580331 0.93 FGFR1 (0.91) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL29400862 0.93 FGFR1 (0.91) FGFR1HDAC1FGFR2FGFR4FGFR3
SCHEMBL28574024 0.93 FGFR1 (0.91) 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 3 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
WO-2022037365-A1 DOUBLE-TARGET INHIBITOR TARGETING FGFR AND HDAC, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITION AND MEDICAMENT 四川大学华西医院 2022-02-24 WO 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