SCHEMBL31334486

SCHEMBL31334486

CC(C)(C)OC(=O)C1CCC(N2CC=C(c3ccc([N+](=O)[O-])cc3F)CC2)C(F)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 5/20 0.38
▸ CCNT1 O60563 4/20 0.38
▸ MAPT P10636 4/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADAM10 O14672 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TNF P01375 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
SCHEMBL31334383 1.00 CDK9 (0.38) CDK9CCNT1MAPTSLC6A4DRD2
SCHEMBL31333420 0.87 CDK9 (0.40) CDK9CCNT1MAPTSLC6A4DRD2
SCHEMBL31333879 0.87 CDK9 (0.40) CDK9CCNT1MAPTSLC6A4DRD2
SCHEMBL31333700 0.82 ADAM10 (0.42) CDK9MAPTSLC6A4DRD2JAK1
SCHEMBL31334454 0.77 DRD2 (0.49) CDK9CCNT1MAPTSLC6A4DRD2
SCHEMBL10036179 0.76 PDK4 (0.51) CDK9CCNT1MAPTJAK1ALDH1A1
SCHEMBL29535433 0.76 PDK4 (0.51) CDK9CCNT1MAPTJAK1ALDH1A1
SCHEMBL31334835 0.75 ALDH1A1 (0.39) CDK9CCNT1MAPTJAK1ALDH1A1
SCHEMBL31333302 0.75 DRD2 (0.42) CDK9CCNT1MAPTDRD2ALDH1A1
SCHEMBL10036172 0.72 SLC6A4 (0.46) SLC6A4ALDH1A1LMNAKMT2AADAM10

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
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