SCHEMBL24865720

SCHEMBL24865720

Cn1c(=O)oc2ccc(Nc3cnc(N4CCC(C(F)(F)F)CC4)c(F)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.40
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
GPR55 Q9Y2T6 2/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PKM P14618 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
EGFR P00533 2/20 0.33
KIT P10721 1/20 0.33
PTGES O14684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL31123218 1.00 BCL6 (0.40) BCL6JAK1JAK3GPR55GABRG2
SCHEMBL24865177 0.85 BCL6 (0.49) BCL6JAK1JAK3MAPTKDM4E
SCHEMBL31123228 0.85 BCL6 (0.49) BCL6JAK1JAK3MAPTKDM4E
SCHEMBL24865740 0.83 BCL6 (0.40) BCL6JAK1JAK3GABRG2GABRB3
SCHEMBL31123207 0.77 GABRG2 (0.45) GABRG2GABRB3GABRA5
SCHEMBL24865334 0.77 GABRG2 (0.45) GABRG2GABRB3GABRA5
SCHEMBL30336132 0.76 BCL6 (0.49) BCL6JAK1JAK3MAPTKDM4E
SCHEMBL24865152 0.76 BCL6 (0.49) BCL6JAK1JAK3MAPTKDM4E
SCHEMBL24865639 0.75 GABRG2 (0.43) BCL6GABRG2GABRB3GABRA5MAPT
SCHEMBL24865430 0.74 KIF11 (0.49) JAK1JAK3GABRG2GABRB3GABRA5

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-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed