SCHEMBL31334307

SCHEMBL31334307

O=C1CCC(c2cccc(-c3nc(Cl)ncc3F)c2)CN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.41
IRAK1 P51617 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NOTUM Q6P988 1/20 0.33
KMT2A Q03164 1/20 0.32
SYK P43405 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
F11 P03951 1/20 0.32
BTK Q06187 2/20 0.31
ADRA1A P35348 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
SCHEMBL31334301 0.83 KMT2A (0.38) NOTUMKMT2ACCNT1CDK2CDK9
SCHEMBL19078915 0.83 NOTUM (0.37) NOTUMKMT2ABTK
SCHEMBL30919870 0.83 NOTUM (0.37) NOTUMKMT2ABTK
SCHEMBL31333580 0.81 CCNT1 (0.45) IRAK1IRAK4CCNT1CDK9
SCHEMBL31333412 0.77 MAPK8 (0.43) MAPK1CCNT1CCNKCCNE1CDK2
SCHEMBL31333896 0.77 RAF1 (0.38) MAPK1KMT2ABTK
SCHEMBL30919545 0.70 BTK (0.45) NOTUMCCNT1CDK9BTK
SCHEMBL27265295 0.70 BTK (0.45) NOTUMCCNT1CDK9BTK
SCHEMBL30919780 0.70 BTK (0.45) NOTUMCCNT1CDK9BTK
SCHEMBL27265220 0.70 BTK (0.45) NOTUMCCNT1CDK9BTK

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