SCHEMBL24865181

SCHEMBL24865181

CNc1cc(Nc2cnc(N3CCC(C(F)(F)F)CC3)c(F)c2)ccc1N(C)N=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.33
BCL6 P41182 1/20 0.31
JAK2 O60674 6/20 0.31
JAK1 P23458 4/20 0.31
BRD4 O60885 4/20 0.31
BRD2 P25440 2/20 0.31
JAK3 P52333 2/20 0.31
BRD3 Q15059 2/20 0.31
BRDT Q58F21 2/20 0.31
TRPA1 O75762 1/20 0.31
TYK2 P29597 2/20 0.30
KIF18A Q8NI77 1/20 0.30
KIT P10721 3/20 0.30
FLT3 P36888 2/20 0.30

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
SCHEMBL24865157 0.91 DHODH (0.36) KDM4EMAPTSCN10ABCL6JAK2
SCHEMBL24865300 0.83 CNR2 (0.34) KDM4EMAPTBCL6JAK2BRD4
SCHEMBL24865335 0.77 KIT (0.35) KDM4EMAPTSCN10ABCL6TRPA1
SCHEMBL31123228 0.74 BCL6 (0.49) KDM4EMAPTSCN10ABCL6JAK1
SCHEMBL24865177 0.74 BCL6 (0.49) KDM4EMAPTSCN10ABCL6JAK1
SCHEMBL24865658 0.73 SYK (0.34) KDM4EMAPTJAK2BRD4
SCHEMBL24865770 0.71 CNR2 (0.33) BCL6JAK2
SCHEMBL24865720 0.71 BCL6 (0.40) KDM4EMAPTSCN10ABCL6JAK1
SCHEMBL31123218 0.71 BCL6 (0.40) KDM4EMAPTSCN10ABCL6JAK1
SCHEMBL24865334 0.70 GABRG2 (0.45)

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-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed