SCHEMBL21377501

SCHEMBL21377501

C1CNC(C2CNCCN2)CCN1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.32
PDE4A P27815 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL16877687 0.95 L3MBTL1 (0.39) L3MBTL1
SCHEMBL18473862 0.93 CXCR4 (0.35) L3MBTL1
SCHEMBL18207911 0.92 L3MBTL1 (0.37) L3MBTL1
SCHEMBL16877756 0.90 L3MBTL1 (0.36) L3MBTL1HIF1AMAPTPDE4AKDR
SCHEMBL431279 0.86 HIF1A (0.33) L3MBTL1HIF1AMAPTPDE4AKDR
SCHEMBL23662114 0.85 CXCR4 (0.36) MAPT
SCHEMBL20256033 0.81 CXCR4 (0.39) L3MBTL1MAPT
SCHEMBL17803437 0.81
SCHEMBL16877600 0.80
SCHEMBL21568738 0.80 L3MBTL1 (0.33) L3MBTL1

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-2019174601-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITOR FUJIAN HAIXI PHARMACEUTICALS CO., LTD (CN) 2019-09-19 WO disclosed