SCHEMBL31423910

SCHEMBL31423910

Nc1nc2c(OCC(F)(F)F)c(Br)ccn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.41
ADORA2A P29274 1/20 0.36
AMD1 P17707 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
NUDT1 P36639 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
THRB P10828 1/20 0.31
G6PD P11413 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL25385595 0.82 JAK2 (0.39) JAK2PIK3CDPIK3CGNUDT1MAPT
SCHEMBL31489346 0.77 JAK2 (0.48) JAK2PIK3CDPIK3CGNUDT1HSP90AA1
SCHEMBL18952793 0.76 JAK1 (0.33) ADORA2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL18952580 0.75 JAK2 (0.52) JAK2ADORA2APIK3CDPIK3CGNUDT1
Trifluoroacetic Acid SCHEMBL31489607 0.74 JAK2 (0.39) JAK2PIK3CDPIK3CGMAPTHSD17B10
SCHEMBL31424000 0.74 JAK2 (0.34) JAK2NUDT1ALDH1A1MAPTKDM4E
SCHEMBL31489350 0.71 JAK2 (0.41) JAK2ADORA2APIK3CDPIK3CGNUDT1
SCHEMBL31586363 0.70 JAK2 (0.34) JAK2NUDT1KMT2A
SCHEMBL18615048 0.69 JAK2 (0.69) JAK2NUDT1ALDH1A1KDM4ESCN9A
SCHEMBL31423940 0.69 JAK2 (0.38) JAK2PIK3CDPIK3CGSCN9A

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
WO-2025096061-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025054386-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed