SCHEMBL2362274

SCHEMBL2362274

COc1cc(OC)c(-c2cnc3[nH]cc(C(=O)c4ccccc4)c3n2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.55
SYK P43405 3/20 0.48
CYP2C9 P11712 1/20 0.48
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
JAK3 P52333 2/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
AXL P30530 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CASP3 P42574 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DYRK1A Q13627 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2275541 0.84 SYK (0.68) AAK1SYKCYP2C9JAK2JAK1
SCHEMBL14655367 0.76 CYP2C9 (0.53) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277066 0.75 SYK (0.67) AAK1SYKCYP2C9JAK2JAK1
SCHEMBL2282760 0.74 SYK (0.69) AAK1SYKCYP2C9LMNAKDM4E
SCHEMBL2277342 0.74 JAK3 (0.48) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275862 0.73 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2276549 0.72 SYK (0.69) AAK1SYKCYP2C9JAK2JAK1
SCHEMBL3372895 0.72 AXL (0.51) SYKCYP2C9JAK2JAK3LDHA
SCHEMBL2280570 0.71 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275868 0.71 SYK (0.49) SYKCYP2C9JAK2JAK1JAK3

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 disclosed