SCHEMBL3785987

SCHEMBL3785987

COc1cccc2sc(-c3cc(-c4c[nH]nc4C4CCNCC4)cnc3N)nc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
JUND P17535 1/20 0.40
FOSB P53539 1/20 0.40
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALK Q9UM73 5/20 0.38
F2RL3 Q96RI0 1/20 0.38
FYN P06241 2/20 0.37
TGFBR1 P36897 3/20 0.37
ACVR1 Q04771 3/20 0.37
FGFR1 P11362 1/20 0.35
ILK Q13418 1/20 0.35
MAP4K3 Q8IVH8 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL3786618 0.90 LRRK2 (0.38) LRRK2ALKFYNTGFBR1ACVR1
SCHEMBL3787794 0.88 ILK (0.40) LRRK2ALKILKMAP4K3
SCHEMBL3792486 0.88 LRRK2 (0.36) LRRK2ALKTGFBR1ACVR1ILK
SCHEMBL3791691 0.88 LRRK2 (0.36) LRRK2TDP1ALKF2RL3TGFBR1
SCHEMBL3790635 0.87 LRRK2 (0.37) LRRK2ALKILKMAP4K3
SCHEMBL3789591 0.87 LRRK2 (0.41) LRRK2JUNDFOSBALKF2RL3
SCHEMBL3790865 0.86 LRRK2 (0.37) LRRK2ILKMAP4K3
Hydrochloric Acid SCHEMBL3786770 0.83 ILK (0.50) TDP1ILKKDM4EMEN1GAA
SCHEMBL3786015 0.82 DYRK1A (0.49) LRRK2TGFBR1ILK
SCHEMBL3785286 0.82 APP (0.46) LRRK2ILKGAA

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