SCHEMBL31334409

SCHEMBL31334409

COC(=O)[C@H]1CCC[C@@H](Nc2ncc(F)c(-c3cccc(C4(O)COC4)c3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.42
CTSA P10619 3/20 0.40
MAPK1 P28482 5/20 0.39
MAPK3 P27361 4/20 0.37
ADORA1 P30542 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
EGFR P00533 1/20 0.34
MAPK8 P45983 2/20 0.34
DYRK2 Q92630 2/20 0.34
HSD11B1 P28845 2/20 0.34
PIK3CG P48736 1/20 0.34
GSK3B P49841 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34

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
SCHEMBL31334884 0.91 MAPK3 (0.43) CTSAMAPK1MAPK3ADORA1CCNA2
SCHEMBL31334522 0.91 CTSA (0.41) CTSAMAPK1MAPK3ADORA1CCNA2
SCHEMBL31334606 0.90 MAPK3 (0.40) CTSAMAPK1MAPK3ADORA1CCNA2
SCHEMBL31334206 0.83 IRAK1 (0.43) IRAK1MAPK1MAPK3ADORA1CCNA2
SCHEMBL31334596 0.83 ADORA1 (0.41) CTSAMAPK1MAPK3ADORA1CCNA2
SCHEMBL31333489 0.82 MAPK8 (0.44) CTSAMAPK1MAPK3ADORA1CCNA2
SCHEMBL31333196 0.82 MAPK3 (0.42) CTSAMAPK1MAPK3ADORA1CCNA2
SCHEMBL31334535 0.81 IRAK1 (0.45) IRAK1MAPK1ADORA1CCNA2CDK2
SCHEMBL31333640 0.81 MAPK1 (0.44) MAPK1MAPK3CCNA2CDK2MAPK8
SCHEMBL31334512 0.80 IRAK1 (0.46) IRAK1MAPK1MAPK3CDK2EGFR

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-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed