SCHEMBL30634799

SCHEMBL30634799

COc1nc(C2CC2)cc(O[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1-c1ccno1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 1/20 0.36
CACNB2 Q08289 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CACNA1E Q15878 1/20 0.36
CACNA2D4 Q7Z3S7 1/20 0.36
CACNA2D3 Q8IZS8 1/20 0.36

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
SCHEMBL30634789 0.90 PIK3CD (0.39) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL26670605 0.90 LDHA (0.32) CCNE1CDK2
SCHEMBL30634781 0.86 JAK1 (0.38) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL24977758 0.82 PIK3CD (0.37) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30101584 0.82 PIK3CD (0.37) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30101547 0.80 BTK (0.36) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL24977610 0.80 BTK (0.36) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL26670746 0.80 LDHA (0.36) PIK3CDPDE4BCCNE1CDK2
SCHEMBL30634783 0.79 AURKA (0.36) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30634772 0.77 PIK3CD (0.39) PIK3CDCACNB4CACNA1ACACNA1GCACNG3

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-4532486-A1 PYRIDINE CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2025-04-09 EP disclosed
WO-2023230477-A1 PYRIDINE CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2023-11-30 WO disclosed