SCHEMBL31418488

SCHEMBL31418488

Nc1nc2ncc(C3CC3)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.38
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPKAPK2 P49137 1/20 0.31
HDAC4 P56524 2/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL31167804 0.89 KDM4E (0.34) AADATMAPTKDM4EALDH1A1MAPK1
SCHEMBL25263298 0.84 MAPK1 (0.34) AADATMAPK1
SCHEMBL31019118 0.84 MAPK1 (0.34) AADATMAPK1
SCHEMBL31167646 0.81 PIM1 (0.32) AADAT
SCHEMBL31418501 0.81 MYC (0.30)
SCHEMBL31418452 0.81 MYC (0.30)
SCHEMBL31418646 0.78 PIK3CD (0.30)
SCHEMBL31019061 0.77 DGAT1 (0.39) AADATMAPTUSP2GAAALOX15
SCHEMBL25313007 0.77 DGAT1 (0.39) AADATMAPTUSP2GAAALOX15
SCHEMBL25307639 0.76 MBOAT4 (0.32) MAPTGAAHSD17B10MAPK1

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-2025016391-A1 THIAZOLE PYRAZINE COMPOUNDS AND USE THEREOF 南京再明医药有限公司 2025-01-23 WO disclosed