SCHEMBL31333879

SCHEMBL31333879

CC(C)(C)OC(=O)[C@H]1CC[C@H](N2CC=C(c3ccc([N+](=O)[O-])cc3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 10/20 0.40
▸ CCNT1 O60563 5/20 0.40
▸ MAPT P10636 3/20 0.39
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31333420 1.00 CDK9 (0.40) CDK9CCNT1MAPTCDK1CDK4
SCHEMBL31333700 0.88 ADAM10 (0.42) CDK9MAPTSLC6A4DRD2JAK1
SCHEMBL31334486 0.87 CDK9 (0.38) CDK9CCNT1MAPTSLC6A4DRD2
SCHEMBL31334383 0.87 CDK9 (0.38) CDK9CCNT1MAPTSLC6A4DRD2
SCHEMBL31334454 0.87 DRD2 (0.49) CDK9CCNT1MAPTCDK1CDK4
SCHEMBL31333302 0.85 DRD2 (0.42) CDK9CCNT1MAPTDRD2ALDH1A1
SCHEMBL10036172 0.81 SLC6A4 (0.46) SLC6A4ALDH1A1KMT2ALMNA
SCHEMBL31333710 0.79 MAPT (0.51) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL31334458 0.79 MAPT (0.51) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL10036179 0.79 PDK4 (0.51) CDK9CCNT1MAPTJAK1ALDH1A1

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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