SCHEMBL2347258

SCHEMBL2347258

COc1cc(-c2cnc3c(C(=O)C(C)c4ccccc4)c[nH]c3n2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.58
CYP2C9 P11712 1/20 0.58
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
MAP3K11 Q16584 2/20 0.44
NEK2 P51955 5/20 0.44
PDGFRB P09619 3/20 0.43
CASR P41180 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.39
PTK2 Q05397 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
SCHEMBL2278290 0.92 SYK (0.69) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2340338 0.82 SYK (0.60) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2338325 0.79 SYK (0.61) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277584 0.79 SYK (0.78) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275541 0.76 SYK (0.68) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2345330 0.75 SYK (0.56) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277066 0.75 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277878 0.75 SYK (0.76) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2271725 0.74 SYK (0.71) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL27822558 0.74 SYK (0.66) 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