SCHEMBL21453750

SCHEMBL21453750

Cn1cc(CO)nc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.33
AKT1 P31749 2/20 0.33
PDE10A Q9Y233 1/20 0.32
NOTUM Q6P988 2/20 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
SCHEMBL12991568 0.72 USP1 (0.38) RPS6KB1AKT1PDE10A
SCHEMBL14397368 0.71 RPS6KB1 (0.31) RPS6KB1AKT1
SCHEMBL1304289 0.71 CCNE1 (0.31)
SCHEMBL859562 0.70
SCHEMBL21449340 0.70 GPR119 (0.37)
Hydrochloric Acid SCHEMBL3527705 0.69 RPS6KB1 (0.30) RPS6KB1AKT1
SCHEMBL26627790 0.68 ESR1 (0.34) RPS6KB1AKT1
SCHEMBL31483563 0.68
SCHEMBL25159804 0.68 USP1 (0.32)
SCHEMBL21453298 0.68 CNR2 (0.34)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019195846-A1 IMIDAZOPIPERAZINONE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-10 WO disclosed