SCHEMBL30463604

SCHEMBL30463604

Nc1ncc(-c2cncs2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
CHEK2 O96017 1/20 0.45
MAPT P10636 2/20 0.41
ALOX5AP P20292 1/20 0.40
DYRK1A Q13627 2/20 0.40
CD38 P28907 9/20 0.39
LMNA P02545 1/20 0.36
IMPDH2 P12268 1/20 0.36
MAP4K4 O95819 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL4020749 0.83 PIK3CD (0.50) CHEK1CHEK2MAPTDYRK1ACD38
SCHEMBL14320606 0.76 APP (0.50) CHEK1CHEK2MAPTDYRK1ACD38
SCHEMBL30463551 0.75 DYRK1A (0.47) CHEK1CHEK2MAPTDYRK1ACD38
SCHEMBL18927620 0.74 MAPT (0.44) CHEK1CHEK2MAPTDYRK1ACD38
SCHEMBL20950907 0.74 TEK (0.43) CHEK1CHEK2DYRK1ACD38
SCHEMBL571374 0.72 HDAC8 (0.50) CHEK1CHEK2MAPTDYRK1ACD38
SCHEMBL13745367 0.72 DYRK1A (0.46) CHEK1CHEK2MAPTDYRK1ACD38
SCHEMBL14757630 0.72 DHFR (0.44) CHEK1CHEK2IMPDH2
SCHEMBL17701204 0.71 DYRK1A (0.41) CHEK1CHEK2MAPTDYRK1ACD38
SCHEMBL4859450 0.69 MAP4K4 (0.56) MAPTALOX5APLMNAMAP4K4

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
CN-116514799-A Wee1 inhibitor, composition and application thereof 星希尔生物科技(上海)有限公司 2023-08-01 CN disclosed