SCHEMBL24865707

SCHEMBL24865707

CN(C)c1cc(N)c(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1OCC=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.32
BRD4 O60885 2/20 0.32
ALK Q9UM73 1/20 0.31
BCL6 P41182 1/20 0.31
F10 P00742 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC8 Q9BY41 1/20 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
SCHEMBL24865667 0.90 ALK (0.33) JAK2BRD4ALKBCL6F10
SCHEMBL24865544 0.79 BCL6 (0.35) JAK2BRD4ALKBCL6F10
SCHEMBL24865215 0.79 PTK2 (0.33) JAK2ALKBCL6F10
SCHEMBL24864955 0.79 KDM4E (0.36) JAK2BRD4ALKBCL6
SCHEMBL24865645 0.77 FGFR3 (0.34) BCL6
SCHEMBL24865437 0.76 BCL6 (0.38) BCL6
SCHEMBL24865761 0.74 JAK2 (0.33) JAK2BCL6
SCHEMBL24865335 0.73 KIT (0.35) BCL6
SCHEMBL24865650 0.70 CNR2 (0.34) BCL6
SCHEMBL25193242 0.70 L3MBTL1 (0.40) ALK

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