SCHEMBL3785286

SCHEMBL3785286

COc1ccc2nc(-c3cc(-c4c[nH]nc4C4CCNCC4)cnc3N)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.46
ILK Q13418 2/20 0.45
LRRK2 Q5S007 1/20 0.43
DYRK1A Q13627 1/20 0.42
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3786015 0.93 DYRK1A (0.49) APPILKLRRK2DYRK1A
SCHEMBL3792301 0.90 MAPT (0.43) APPILKLRRK2GLAGAA
SCHEMBL3791085 0.89 ILK (0.44) APPILK
SCHEMBL3788570 0.88 APP (0.41) APPILKLRRK2
SCHEMBL3790687 0.86 APP (0.46) APPILKLRRK2
Hydrochloric Acid SCHEMBL3786770 0.86 ILK (0.50) APPILKGAA
SCHEMBL3790558 0.84 MAPT (0.43) APPILKLRRK2DYRK1AGLA
SCHEMBL3791132 0.83 ILK (0.41) APPILKLRRK2DYRK1A
SCHEMBL3789591 0.83 LRRK2 (0.41) ILKLRRK2
SCHEMBL3792929 0.82 NPC1 (0.47) APPILKLRRK2DYRK1AGAA

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