SCHEMBL3786015

SCHEMBL3786015

COc1ccc2sc(-c3cc(-c4c[nH]nc4C4CCNCC4)cnc3N)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.49
ILK Q13418 3/20 0.44
LRRK2 Q5S007 1/20 0.43
TGFBR1 P36897 1/20 0.38
GRK2 P25098 1/20 0.38
GRK5 P34947 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL3785286 0.93 APP (0.46) DYRK1AILKLRRK2APP
SCHEMBL3790558 0.90 MAPT (0.43) DYRK1AILKLRRK2GRK2GRK5
SCHEMBL3781299 0.89 DYRK1A (0.38) DYRK1AILKLRRK2GRK2GRK5
SCHEMBL3791132 0.89 ILK (0.41) DYRK1AILKLRRK2GRK2GRK5
SCHEMBL3792929 0.88 NPC1 (0.47) DYRK1AILKLRRK2GRK2GRK5
SCHEMBL3790642 0.86 APP (0.37) DYRK1AILKLRRK2GRK2GRK5
Hydrochloric Acid SCHEMBL3786770 0.86 ILK (0.50) ILKAPP
SCHEMBL3784950 0.85 ILK (0.46) DYRK1AILKGRK2GRK5
SCHEMBL3792301 0.84 MAPT (0.43) ILKLRRK2APP
SCHEMBL3791085 0.83 ILK (0.44) ILKGRK2GRK5APP

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