SCHEMBL2345751

SCHEMBL2345751

COc1ccc(-c2cnc3[nH]cc(OC(=O)NC4CCNCC4)c3n2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.50
MAP4K1 Q92918 1/20 0.46
MAP3K11 Q16584 3/20 0.45
STK17B O94768 4/20 0.45
STK17A Q9UEE5 1/20 0.45
AAK1 Q2M2I8 3/20 0.44
PDPK1 O15530 1/20 0.43
PDE4B Q07343 3/20 0.43
GAK O14976 1/20 0.43
CYP2C9 P11712 1/20 0.43
NEK2 P51955 1/20 0.41
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41

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
SCHEMBL2361559 0.95 SYK (0.49) SYKMAP4K1MAP3K11STK17BSTK17A
SCHEMBL2343891 0.93 SYK (0.52) SYKMAP4K1MAP3K11STK17BSTK17A
SCHEMBL2346422 0.90 PDE4B (0.51) SYKMAP4K1MAP3K11STK17BSTK17A
SCHEMBL2279898 0.86 SYK (0.62) SYKMAP4K1MAP3K11STK17BSTK17A
SCHEMBL2349695 0.86 MAP4K1 (0.51) SYKMAP4K1MAP3K11STK17BSTK17A
SCHEMBL2343170 0.84 KDM5B (0.48) SYKMAP4K1MAP3K11STK17BSTK17A
SCHEMBL2349493 0.82 SYK (0.55) SYKMAP3K11PDE4BCYP2C9NEK2
SCHEMBL2343816 0.82 SYK (0.47) SYKMAP4K1MAP3K11STK17BSTK17A
SCHEMBL2275268 0.81 SYK (0.61) SYKMAP4K1MAP3K11STK17BSTK17A
SCHEMBL2339060 0.81 SYK (0.53) SYKMAP4K1MAP3K11PDE4BCYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed