SCHEMBL3792500

SCHEMBL3792500

Nc1ncc(-c2c[nH]nc2C2CCNCC2)cc1-c1cc2cc(F)ccc2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
JAK2 O60674 2/20 0.36
GRK5 P34947 6/20 0.36
GRK2 P25098 5/20 0.36
MET P08581 2/20 0.35
TDO2 P48775 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALK Q9UM73 1/20 0.34
MAP4K3 Q8IVH8 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL3789068 0.96 L3MBTL1 (0.39) CASP3SENP8SENP7SENP6JAK2
Hydrochloric Acid SCHEMBL3785832 0.89 LRRK2 (0.36) GRK5GRK2METLRRK2ALK
Hydrochloric Acid SCHEMBL3786843 0.89 MET (0.38) JAK2GRK5GRK2METLRRK2
Hydrochloric Acid SCHEMBL3785336 0.89 LRRK2 (0.34) GRK5GRK2METLRRK2MKNK1
Hydrochloric Acid SCHEMBL3788088 0.88 LRRK2 (0.40) GRK5GRK2METLRRK2MAP4K3
Hydrochloric Acid SCHEMBL3795191 0.88 MAP4K3 (0.37) GRK5GRK2LRRK2MAP4K3ALOX5AP
Hydrochloric Acid SCHEMBL3788476 0.87 SLC6A2 (0.37) GRK5GRK2LRRK2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3787669 0.87 LRRK2 (0.44) CASP3SENP7GRK5GRK2LRRK2
Hydrochloric Acid SCHEMBL3791689 0.87 ALK (0.33) JAK2GRK5GRK2METTDO2
SCHEMBL3790505 0.86 LRRK2 (0.36) GRK5GRK2METLRRK2MAP4K3

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