SCHEMBL24715221

SCHEMBL24715221

C=CC(=O)CCCCC(CCC)CCc1cc2c(Nc3cc(-c4ccc(F)cc4F)ccc3OC)ncnc2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.44
HDAC4 P56524 9/20 0.44
HDAC1 Q13547 9/20 0.44
HDAC7 Q8WUI4 9/20 0.44
HDAC2 Q92769 9/20 0.44
HDAC10 Q969S8 9/20 0.44
HDAC11 Q96DB2 9/20 0.44
HDAC8 Q9BY41 9/20 0.44
HDAC6 Q9UBN7 9/20 0.44
HDAC9 Q9UKV0 9/20 0.44
HDAC5 Q9UQL6 9/20 0.44
KDR P35968 10/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
EGFR P00533 9/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
MET P08581 1/20 0.39

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
SCHEMBL24714966 0.79 KDR (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24714084 0.78 KDR (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24715217 0.77 KDR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24714969 0.77 EGFR (0.63) KDRFGFR1FLT1EGFR
SCHEMBL24714735 0.76 EGFR (0.45) EGFRMET
SCHEMBL24714310 0.76 EGFR (0.69) EGFR
SCHEMBL30031190 0.76 EGFR (0.69) EGFR
SCHEMBL24713884 0.74 KDR (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24714001 0.73 BRAF (0.63) KDRFGFR1FLT1EGFRRAF1
SCHEMBL30032313 0.73 EGFR (0.67) EGFRMET

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
WO-2022225238-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2022-10-27 WO disclosed