SCHEMBL31450832

SCHEMBL31450832

C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc2n1-c1ccc2c(n1)[C@](O)(CC)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 1.00
EGFR P00533 1/20 0.81
CYP3A4 P08684 1/20 0.81
PLK1 P53350 1/20 0.81
MAP3K19 Q56UN5 1/20 0.81
PLK3 Q9H4B4 1/20 0.81
PLK2 Q9NYY3 1/20 0.81

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
SCHEMBL29482704 1.00 WEE1 (1.00) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL21333309 1.00 WEE1 (1.00) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL21332688 1.00 WEE1 (1.00) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL21332940 1.00 WEE1 (1.00) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL21333282 0.94 WEE1 (0.88) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL31613787 0.94 WEE1 (0.88) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL29482710 0.94 WEE1 (0.88) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL21332682 0.94 WEE1 (0.88) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL21332681 0.94 WEE1 (0.88) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25060979 0.93 WEE1 (0.87) WEE1EGFRCYP3A4PLK1MAP3K19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4566612-A2 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES Recurium IP Holdings, LLC (US) 2025-06-11 EP disclosed
EP-3762385-B1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS LLC (US) 2025-02-12 EP disclosed