SCHEMBL22650412

SCHEMBL22650412

CN(C(=O)OC(C)(C)C)C1CCN(c2ccc(N)nc2)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.38
GPR119 Q8TDV5 8/20 0.38
AAK1 Q2M2I8 1/20 0.38
PDE10A Q9Y233 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
PIK3CD O00329 1/20 0.36
HSD11B1 P28845 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL29491165 1.00 SPR (0.38) SPRGPR119AAK1PDE10AKDM4D
SCHEMBL22650571 0.87 CCR5 (0.39) GPR119ROCK2
SCHEMBL30700827 0.86 AAK1 (0.43) GPR119AAK1PDE10AKDM4DJAK2
SCHEMBL20037702 0.86 AAK1 (0.43) GPR119AAK1PDE10AKDM4DJAK2
SCHEMBL22650573 0.84 LIPE (0.35) GPR119HSD11B1ROCK2
SCHEMBL22650368 0.81 ALOX5AP (0.37) PIK3CA
SCHEMBL29462389 0.81 ALOX5AP (0.37) PIK3CA
SCHEMBL23104497 0.81 RET (0.45) SPRAAK1PDE10AKDM4DJAK2
SCHEMBL23104405 0.81 RET (0.45) SPRAAK1PDE10AKDM4DJAK2
SCHEMBL29736351 0.81 RET (0.45) SPRAAK1PDE10AKDM4DJAK2

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
CN-120040446-A CDK inhibitors 基因泰克公司 2025-05-27 CN disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed