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SCHEMBL31334587

SCHEMBL31334587

O=C(N[C@H]1CC[C@H](Nc2ncc(Cl)c(-c3cccc(-c4ccc(F)cc4)c3)n2)CC1)C1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 14/20 0.39
▸ F10 P00742 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL31333318 0.90 F10 (0.42) MAPK1F10PKMJAK2JAK1
SCHEMBL31334904 0.85 PKM (0.47) L3MBTL1MAPK1PKM
SCHEMBL31333797 0.84 MAPK1 (0.44) MAPK1F10PKM
SCHEMBL31334848 0.84 MAPK1 (0.40) MAPK1JAK2JAK1JAK3
SCHEMBL31334277 0.82 MAPK1 (0.43) MAPK1PKM
SCHEMBL31333534 0.79 MAPK1 (0.45) MAPK1F10
SCHEMBL31334296 0.77 MAPK1 (0.46) MAPK1
SCHEMBL31334180 0.74 CCNT1 (0.47) MAPK1
SCHEMBL31334426 0.72 MAPK1 (0.49) MAPK1
SCHEMBL31334032 0.72 MAPK1 (0.46) MAPK1

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