SCHEMBL29975700

SCHEMBL29975700

C=CCn1c(=O)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.87
PLK1 P53350 2/20 0.85
GAK O14976 1/20 0.85
EPHB6 O15197 1/20 0.85
JAK2 O60674 1/20 0.85
PRKD3 O94806 1/20 0.85
MAP4K4 O95819 1/20 0.85
PAK4 O96013 1/20 0.85
ABL1 P00519 1/20 0.85
LCK P06239 1/20 0.85
FYN P06241 1/20 0.85
CYP3A4 P08684 1/20 0.85
WEE2 P0C1S8 1/20 0.85
BCR P11274 1/20 0.85
CSNK2A2 P19784 1/20 0.85
SYK P43405 1/20 0.85
CSNK1A1 P48729 1/20 0.85
NEK2 P51955 1/20 0.85
NEK3 P51956 1/20 0.85
JAK3 P52333 1/20 0.85

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
SCHEMBL1816265 1.00 WEE1 (0.87) WEE1PLK1GAKEPHB6JAK2
SCHEMBL25585760 0.93 WEE1 (0.79) WEE1PLK1GAKEPHB6JAK2
SCHEMBL23100040 0.93 WEE1 (1.00) WEE1PLK1GAKEPHB6JAK2
SCHEMBL18797921 0.93 WEE1 (0.87) WEE1PLK1GAKEPHB6JAK2
SCHEMBL30305667 0.92 WEE1 (0.86) WEE1PLK1GAKEPHB6JAK2
Adavosertib SCHEMBL29381006 0.92 WEE1 (1.00) WEE1PLK1GAKEPHB6JAK2
Adavosertib SCHEMBL30559444 0.92 WEE1 (1.00) WEE1PLK1GAKEPHB6JAK2
Adavosertib SCHEMBL1504444 0.92 WEE1 (1.00) WEE1PLK1GAKEPHB6JAK2
SCHEMBL18797915 0.92 WEE1 (0.86) WEE1PLK1GAKEPHB6JAK2
SCHEMBL25826222 0.92 WEE1 (0.79) WEE1PLK1GAKEPHB6JAK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416151-A1 CHIMERIC COMPOUNDS USEFUL IN TREATING DISEASES Padarn Therapeutics, Inc. (US) 2024-08-21 EP disclosed
EP-4329815-A1 DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS Novartis AG (CH) 2024-03-06 EP disclosed
WO-2023064164-A1 CHIMERIC COMPOUNDS USEFUL IN TREATING DISEASES PADARN THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
WO-2022251224-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2022-12-01 WO disclosed
WO-2022232634-A1 DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS NOVARTIS AG (CH) 2022-11-03 WO disclosed