SCHEMBL3781328

SCHEMBL3781328

Nc1ncc(-c2c[nH]nc2C2CCNCC2)cc1-c1nc2cccc(Br)c2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
MET P08581 8/20 0.36
KCNH2 Q12809 2/20 0.36
ILK Q13418 1/20 0.36
MAP4K3 Q8IVH8 3/20 0.34
GRK5 P34947 10/20 0.34
GRK2 P25098 6/20 0.33
FLT3 P36888 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 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
SCHEMBL3786133 0.90 LRRK2 (0.36) LRRK2METKCNH2ILKMAP4K3
SCHEMBL3789591 0.89 LRRK2 (0.41) LRRK2ILKMAP4K3TGFBR1ACVR1
SCHEMBL3790471 0.87 MAP4K3 (0.35) LRRK2METKCNH2ILKMAP4K3
SCHEMBL3787024 0.87 LRRK2 (0.37) LRRK2METKCNH2ILKMAP4K3
SCHEMBL3792486 0.86 LRRK2 (0.36) LRRK2METKCNH2ILKMAP4K3
Hydrochloric Acid SCHEMBL3785299 0.85 LRRK2 (0.35) LRRK2METKCNH2ILKMAP4K3
Hydrochloric Acid SCHEMBL3786770 0.85 ILK (0.50) METKCNH2ILK
SCHEMBL3791132 0.80 ILK (0.41) LRRK2METILKMAP4K3GRK5
SCHEMBL3791085 0.80 ILK (0.44) METILKGRK5GRK2
SCHEMBL3790558 0.80 MAPT (0.43) LRRK2METILKMAP4K3GRK5

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-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed