SCHEMBL3147365

SCHEMBL3147365

Cc1ncc(NCC2(CNC(=O)O)CC2)cc1-c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.37
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
FYN P06241 1/20 0.33
RAF1 P04049 6/20 0.33
BRAF P15056 3/20 0.33
SYK P43405 1/20 0.32
KCNH2 Q12809 1/20 0.32
SSTR5 P35346 1/20 0.32
FFAR1 O14842 1/20 0.32
MAP4K4 O95819 1/20 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
SCHEMBL3843144 0.84 ABL1 (0.34) ABL1CLK1DYRK1AFYNRAF1
SCHEMBL3147209 0.82 ABL1 (0.39) ABL1
SCHEMBL3151458 0.81 ABL1 (0.36) ABL1FYN
SCHEMBL3147370 0.81 ABL1 (0.36) ABL1CLK1DYRK1AFYNRAF1
SCHEMBL3146187 0.79 MAP4K4 (0.38) MAP4K4
SCHEMBL3147359 0.78 SYK (0.40) ABL1CLK1DYRK1ASYKSSTR5
SCHEMBL3154902 0.78 SYK (0.34) SYKKCNH2
SCHEMBL3843142 0.78 ABL1 (0.36) ABL1RAF1BRAF
Hydrochloric Acid SCHEMBL3136204 0.77 SYK (0.39) ABL1CLK1DYRK1ASYKSSTR5
SCHEMBL3143340 0.76 ADORA2B (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed