SCHEMBL3786133

SCHEMBL3786133

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
ILK Q13418 1/20 0.36
JAK2 O60674 3/20 0.35
MET P08581 4/20 0.34
KCNH2 Q12809 2/20 0.34
MAP4K3 Q8IVH8 6/20 0.34
ALK Q9UM73 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
USP7 Q93009 1/20 0.32
GRK5 P34947 1/20 0.32
TGFBR1 P36897 1/20 0.31
ACVR1 Q04771 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
SCHEMBL3781328 0.90 LRRK2 (0.38) LRRK2ILKMETKCNH2MAP4K3
SCHEMBL3789591 0.89 LRRK2 (0.41) LRRK2ILKJAK2MAP4K3ALK
SCHEMBL3790471 0.87 MAP4K3 (0.35) LRRK2ILKMETKCNH2MAP4K3
SCHEMBL3787024 0.87 LRRK2 (0.37) LRRK2ILKMETKCNH2MAP4K3
SCHEMBL3791691 0.86 LRRK2 (0.36) LRRK2ILKJAK2METKCNH2
Hydrochloric Acid SCHEMBL3785299 0.85 LRRK2 (0.35) LRRK2ILKMETKCNH2MAP4K3
Hydrochloric Acid SCHEMBL3786770 0.85 ILK (0.50) ILKMETKCNH2
SCHEMBL3792929 0.83 NPC1 (0.47) LRRK2ILKMETMAP4K3ALK
SCHEMBL3788570 0.83 APP (0.41) LRRK2ILKMETMAP4K3ALK
SCHEMBL3792301 0.81 MAPT (0.43) LRRK2ILK

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