SCHEMBL25890930

SCHEMBL25890930

C=CCn1c(=O)c2cnc(Nc3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3)nc2n1-c1cccc(C(C)(C)O)n1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.96
PLK1 P53350 6/20 0.96
PKMYT1 Q99640 2/20 0.96
GAK O14976 1/20 0.96
EPHB6 O15197 1/20 0.96
JAK2 O60674 1/20 0.96
PRKD3 O94806 1/20 0.96
MAP4K4 O95819 1/20 0.96
PAK4 O96013 1/20 0.96
ABL1 P00519 1/20 0.96
LCK P06239 1/20 0.96
FYN P06241 1/20 0.96
CYP3A4 P08684 1/20 0.96
WEE2 P0C1S8 1/20 0.96
BCR P11274 1/20 0.96
CSNK2A2 P19784 1/20 0.96
SYK P43405 1/20 0.96
CSNK1A1 P48729 1/20 0.96
NEK2 P51955 1/20 0.96
NEK3 P51956 1/20 0.96

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
Adavosertib SCHEMBL29381006 0.98 WEE1 (1.00) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL1504444 0.98 WEE1 (1.00) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL30559444 0.98 WEE1 (1.00) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL1504996 0.97 WEE1 (0.98) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL1504998 0.97 WEE1 (0.98) WEE1PLK1PKMYT1GAKEPHB6
SCHEMBL1815951 0.95 WEE1 (0.94) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL3579242 0.95 WEE1 (0.94) WEE1PLK1PKMYT1GAKEPHB6
SCHEMBL15959140 0.92 WEE1 (0.89) WEE1PLK1PKMYT1GAKEPHB6
SCHEMBL1813967 0.92 WEE1 (0.89) WEE1PLK1PKMYT1GAKEPHB6
SCHEMBL1811019 0.92 WEE1 (0.89) WEE1PLK1PKMYT1GAKEPHB6

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-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed