SCHEMBL3146697

SCHEMBL3146697

CNC1(CNc2cnc(Cl)c(-c3cccnc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
CYP2A6 P11509 2/20 0.39
CLK1 P49759 7/20 0.38
DYRK1A Q13627 7/20 0.38
MCHR1 Q99705 3/20 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 SCHEMBL3775074 0.99 ABL1 (0.38) ABL1CYP2A6CLK1DYRK1AMCHR1
SCHEMBL3151084 0.83 CHRNB4 (0.40)
Hydrochloric Acid SCHEMBL3779005 0.82 CHRNB4 (0.39)
SCHEMBL3141366 0.81 SYK (0.37) CLK1DYRK1A
Hydrochloric Acid SCHEMBL3778971 0.81 SYK (0.36) CLK1DYRK1A
SCHEMBL3155310 0.80 ABL1 (0.41) ABL1
SCHEMBL3142555 0.79 ABL1 (0.39) ABL1CLK1DYRK1AMCHR1
SCHEMBL3146047 0.79 KDM1A (0.40)
SCHEMBL3142552 0.78 ABL1 (0.41) ABL1MCHR1
Hydrochloric Acid SCHEMBL3774537 0.78 KDM1A (0.39)

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