SCHEMBL31334128

SCHEMBL31334128

O=C1CCC(Nc2ccc(N3CCC(N4CCC(NC(=O)[C@H]5CC[C@H](Nc6ncc(F)c(-c7cccc(N8CCOCC8=O)c7)n6)CC5)CC4)C(F)(F)C3)c(F)c2)C(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 2/20 0.32
MAP4K1 Q92918 2/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL31333512 0.98 BTK (0.33) BTKCYP3A4MAPK1MAP4K1KDR
SCHEMBL31334359 0.93 SYK (0.34) CYP3A4
SCHEMBL31333720 0.92 CDK4 (0.36) BTKMAPK1MAP4K1KDR
SCHEMBL31334944 0.91 CYP3A4 (0.32) BTKCYP3A4MAPK1
SCHEMBL31335010 0.91 SYK (0.34) CYP3A4
SCHEMBL31334051 0.91 CDK4 (0.36) BTKMAPK1MAP4K1
SCHEMBL31334689 0.90 BTK (0.32) BTKMAPK1MAP4K1KDR
SCHEMBL31334081 0.90 CYP3A4 (0.33) BTKCYP3A4MAPK1
SCHEMBL31334643 0.90 BTK (0.35) BTKMAPK1MAP4K1KDR
SCHEMBL31333256 0.90 BTK (0.35) BTKMAPK1MAP4K1KDR

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