SCHEMBL3784950

SCHEMBL3784950

Nc1ncc(-c2c[nH]nc2C2CCNCC2)cc1-c1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.46
AGPAT2 O15120 3/20 0.37
MAP4K3 Q8IVH8 3/20 0.36
GRK2 P25098 2/20 0.35
GRK5 P34947 2/20 0.35
KCNH2 Q12809 2/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PLAT P00750 1/20 0.34
PRMT5 O14744 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
SCHEMBL3791132 0.90 ILK (0.41) ILKMAP4K3GRK2GRK5DYRK1A
SCHEMBL3781299 0.88 DYRK1A (0.38) ILKMAP4K3GRK2GRK5DYRK1A
SCHEMBL3790558 0.87 MAPT (0.43) ILKMAP4K3GRK2GRK5DYRK1A
SCHEMBL3792929 0.87 NPC1 (0.47) ILKAGPAT2MAP4K3GRK2GRK5
SCHEMBL3786015 0.85 DYRK1A (0.49) ILKGRK2GRK5DYRK1A
SCHEMBL3790642 0.85 APP (0.37) ILKMAP4K3GRK2GRK5DYRK1A
Hydrochloric Acid SCHEMBL3786770 0.85 ILK (0.50) ILKKCNH2MEN1POLBKMT2A
SCHEMBL3791085 0.84 ILK (0.44) ILKGRK2GRK5
SCHEMBL3790471 0.82 MAP4K3 (0.35) ILKMAP4K3GRK2GRK5KCNH2
SCHEMBL3790635 0.82 LRRK2 (0.37) ILKMAP4K3GRK2GRK5PLAT

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