SCHEMBL3789591

SCHEMBL3789591

COc1cccc2nc(-c3cc(-c4c[nH]nc4C4CCNCC4)cnc3N)sc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
FGFR1 P11362 1/20 0.37
TGFBR1 P36897 6/20 0.37
ACVR1 Q04771 6/20 0.37
F2RL3 Q96RI0 1/20 0.37
ALK Q9UM73 2/20 0.36
JUND P17535 1/20 0.36
FOSB P53539 1/20 0.36
FYN P06241 2/20 0.35
ILK Q13418 1/20 0.35
MAP4K3 Q8IVH8 2/20 0.35
JAK2 O60674 1/20 0.34
CDK1 P06493 1/20 0.34
CDK9 P50750 1/20 0.34

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 0.89 LRRK2 (0.36) LRRK2TGFBR1ACVR1ALKILK
SCHEMBL3781328 0.89 LRRK2 (0.38) LRRK2TGFBR1ACVR1ILKMAP4K3
SCHEMBL3785987 0.87 LRRK2 (0.41) LRRK2FGFR1TGFBR1ACVR1F2RL3
SCHEMBL3790471 0.86 MAP4K3 (0.35) LRRK2ILKMAP4K3
SCHEMBL3787024 0.86 LRRK2 (0.37) LRRK2ILKMAP4K3
Hydrochloric Acid SCHEMBL3785299 0.84 LRRK2 (0.35) LRRK2TGFBR1ACVR1FYNILK
Hydrochloric Acid SCHEMBL3786770 0.84 ILK (0.50) ILK
SCHEMBL3785286 0.83 APP (0.46) LRRK2ILK
SCHEMBL3786015 0.83 DYRK1A (0.49) LRRK2TGFBR1ILK
SCHEMBL3791132 0.81 ILK (0.41) LRRK2ILKMAP4K3JAK2

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