SCHEMBL29862877

SCHEMBL29862877

CNC(=O)c1ccc(N[C@H]2CCNC2)c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 14/20 0.49
AURKA O14965 4/20 0.41
PBK Q96KB5 2/20 0.40
KAT2B Q92831 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNK O75909 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
CHEK1 O14757 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRD4 O60885 1/20 0.39
CRBN Q96SW2 1/20 0.39
AKT1 P31749 1/20 0.38

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
Hydrochloric Acid SCHEMBL23360417 0.99 RPS6KB1 (0.49) RPS6KB1AURKAPBKKAT2BCCNT1
Hydrochloric Acid SCHEMBL23360415 0.99 RPS6KB1 (0.49) RPS6KB1AURKAPBKKAT2BCCNT1
Hydrochloric Acid SCHEMBL23360334 0.92 RPS6KB1 (0.46) RPS6KB1AURKAPBKBRD4CRBN
Hydrochloric Acid SCHEMBL23360339 0.85 RPS6KB1 (0.47) RPS6KB1AURKACHEK1KCNH2
SCHEMBL29862700 0.85 PDE4A (0.47) RPS6KB1AURKAPBK
Hydrochloric Acid SCHEMBL23360341 0.85 RPS6KB1 (0.47) RPS6KB1AURKACHEK1KCNH2
Hydrochloric Acid SCHEMBL23359893 0.85 RPS6KB1 (0.48) RPS6KB1AURKAKAT2BCHEK1KCNH2
Hydrochloric Acid SCHEMBL23359896 0.85 RPS6KB1 (0.48) RPS6KB1AURKAKAT2BCHEK1KCNH2
Hydrochloric Acid SCHEMBL23360591 0.85 RPS6KB1 (0.46) RPS6KB1AURKAPBKCHEK1KCNH2
Hydrochloric Acid SCHEMBL23360574 0.85 PDE4A (0.47) RPS6KB1AURKAPBK

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
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed