SCHEMBL31423975

SCHEMBL31423975

Nc1nccc(Br)c1OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
RPS6KB1 P23443 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
SCN9A Q15858 3/20 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
SCHEMBL25385808 0.77 SMN1; SMN2 (0.42) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL19932671 0.74 NPC1 (0.32) NOS3NOS2SMN1; SMN2NPC1HTT
SCHEMBL20568623 0.74 KLK1 (0.34) NOS3NOS2SMN1; SMN2NPC1HTT
SCHEMBL31318306 0.72 ALOX5AP (0.32) HRH4NOS3NOS2ALOX5APFEN1
SCHEMBL3058718 0.72 NOS3 (0.39) KMT2AHSD17B10NOS3NOS2LOXL2
SCHEMBL3711280 0.72 ALOX5AP (0.41) NOS3NOS2HTTALOX5APFEN1
SCHEMBL5036347 0.71 MAPT (0.48) ADORA2AL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL22208204 0.69 MAPT (0.42) ADORA2AL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL30065041 0.69 MAPT (0.42) ADORA2AL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL10272840 0.68 L3MBTL1 (0.35) ADORA2AL3MBTL1ALDH1A1MAPTMEN1

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