SCHEMBL30463551

SCHEMBL30463551

c1ncc(-c2cncs2)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.47
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
HDAC8 Q9BY41 1/20 0.39
CD38 P28907 13/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL571374 0.78 HDAC8 (0.50) DYRK1ADYRK2DYRK1BHDAC8CD38
SCHEMBL17701204 0.76 DYRK1A (0.41) DYRK1ADYRK2DYRK1BHDAC8CD38
SCHEMBL2722754 0.75 DYRK1A (0.77) DYRK1ADYRK2DYRK1BCD38MAPT
SCHEMBL48894 0.73 DYRK1A (0.55) DYRK1ADYRK2DYRK1BCD38ATM
SCHEMBL1872880 0.73 DYRK1A (0.55) DYRK1ADYRK2DYRK1BHDAC8CD38
SCHEMBL13354419 0.72 CYP2A6 (0.50) DYRK1ADYRK2DYRK1BCD38CHEK1
SCHEMBL17701181 0.72 DYRK1A (0.41) DYRK1ADYRK2DYRK1BHDAC8CD38
SCHEMBL999315 0.71 HDAC8 (0.46) DYRK1ADYRK2DYRK1BHDAC8CD38
SCHEMBL8309617 0.71 CD38 (0.49) DYRK1ADYRK2DYRK1BCD38MAPT
SCHEMBL4541085 0.71 CD38 (0.49) DYRK1ADYRK2DYRK1BCD38MAPT

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