SCHEMBL31334539

SCHEMBL31334539

O=C1OCCCN1c1cc(Br)ccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
PIM1 P11309 4/20 0.38
IDH1 O75874 6/20 0.36
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ROCK1 Q13464 1/20 0.32
MAP3K14 Q99558 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL30444356 0.91 IDH1 (0.42) ATRATRIPPIM1IDH1
SCHEMBL20574851 0.91 IDH1 (0.42) ATRATRIPPIM1IDH1
SCHEMBL31334843 0.79 ATR (0.37) ATRATRIPPIM1IDH1PIK3CA
SCHEMBL29348995 0.78 AKR1C3 (0.44) ATRATRIPPIM1ALDH1A1KDM1A
SCHEMBL24135526 0.77 PARP1 (0.48) PIM1IDH1ALDH1A1ROCK1MAP3K14
SCHEMBL31333194 0.76 PARP1 (0.47) ATRATRIPPIM1IDH1ROCK1
SCHEMBL16094570 0.73 PTGS2 (0.42) ATRATRIPPIK3CAPIK3CD
SCHEMBL12859179 0.73 CYP3A4 (0.48) PIM1IDH1ALDH1A1SMN1; SMN2
SCHEMBL19280392 0.73 HSD11B1 (0.50) PIK3CDALDH1A1KDM1A
SCHEMBL31334558 0.72 ALOX5 (0.43) ATRATRIPPIM1IDH1PIK3CA

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