SCHEMBL2345280

SCHEMBL2345280

COc1cc(-c2cnc3[nH]cc(OC(=O)Nc4ccccc4)c3n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.56
CYP2C9 P11712 1/20 0.56
MAP3K11 Q16584 3/20 0.47
BRAF P15056 2/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
ATM Q13315 1/20 0.44
PDGFRB P09619 3/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NEK2 P51955 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PRKDC P78527 1/20 0.41
ATR Q13535 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
SCHEMBL2346884 0.85 SYK (0.65) SYKCYP2C9MAP3K11JAK2JAK1
SCHEMBL2271725 0.85 SYK (0.71) SYKCYP2C9MAP3K11BRAFJAK2
SCHEMBL2347398 0.80 SYK (0.56) SYKCYP2C9MAP3K11JAK2JAK1
SCHEMBL2351567 0.80 SYK (0.62) SYKCYP2C9MAP3K11JAK2JAK1
SCHEMBL2343036 0.80 SYK (0.59) SYKCYP2C9MAP3K11JAK2JAK1
SCHEMBL2348385 0.80 SYK (0.61) SYKCYP2C9MAP3K11JAK2JAK1
SCHEMBL27822558 0.79 SYK (0.66) SYKCYP2C9MAP3K11JAK2JAK1
SCHEMBL2340338 0.79 SYK (0.60) SYKCYP2C9MAP3K11BRAFJAK2
SCHEMBL2343753 0.79 SYK (0.55) SYKCYP2C9MAP3K11JAK2JAK1
SCHEMBL2349493 0.79 SYK (0.55) SYKCYP2C9MAP3K11JAK2JAK1

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