SCHEMBL3786748

SCHEMBL3786748

Nc1ncc(-c2c[nH]nc2C2CCNCC2)cc1-c1cc2c(-c3ccco3)ccc(F)c2cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
MET P08581 2/20 0.33
ALK Q9UM73 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
CCNT1 O60563 5/20 0.32
CDK9 P50750 5/20 0.32
MAP4K3 Q8IVH8 2/20 0.32
PIM1 P11309 3/20 0.32
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
PSMD14 O00487 1/20 0.30
USP2 O75604 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL3784722 0.88 FEN1 (0.38) LRRK2ALOX5APFEN1ALKCCNT1
Hydrochloric Acid SCHEMBL3793473 0.87 ALK (0.38) LRRK2ALOX5APFEN1METALK
Hydrochloric Acid SCHEMBL3786913 0.86 MET (0.33) LRRK2ALOX5APFEN1METALK
SCHEMBL3785164 0.85 ALOX5AP (0.34) LRRK2ALOX5APFEN1METALK
Hydrochloric Acid SCHEMBL3789023 0.85 ALK (0.36) LRRK2ALOX5APFEN1METALK
Hydrochloric Acid SCHEMBL3787624 0.84 CCNT1 (0.38) LRRK2ALOX5APFEN1METCCNT1
Hydrochloric Acid SCHEMBL3785978 0.83 ALK (0.37) LRRK2ALOX5APFEN1METALK
Hydrochloric Acid SCHEMBL3785350 0.83 ALK (0.35) LRRK2ALOX5APFEN1METALK
Hydrochloric Acid SCHEMBL3786119 0.82 ALK (0.33) LRRK2ALOX5APFEN1METALK
Hydrochloric Acid SCHEMBL3789781 0.82 ALK (0.34) LRRK2ALOX5APFEN1METALK

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