SCHEMBL2344632

SCHEMBL2344632

CC(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.55
SYK P43405 4/20 0.46
CYP2C9 P11712 1/20 0.46
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
KDM5B Q9UGL1 1/20 0.41
MAPK1 P28482 1/20 0.41
PRKCI P41743 1/20 0.41
TRPV3 Q8NET8 1/20 0.40
KIT P10721 1/20 0.40
ATR Q13535 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL14655483 0.88 ATR (0.44) JAK3SYKCYP2C9JAK2MAPK1
SCHEMBL2276900 0.87 JAK3 (0.44) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL2278709 0.86 JAK3 (0.55) JAK3SYKCYP2C9MAPK1PRKCI
SCHEMBL2281125 0.85 JAK3 (0.54) JAK3SYKCYP2C9MAPK1PRKCI
SCHEMBL2344634 0.84 JAK3 (0.41) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL2273872 0.84 SYK (0.58) SYKKCNH2
SCHEMBL2278520 0.84 JAK3 (0.55) JAK3SYKCYP2C9MAPK1PRKCI
SCHEMBL2278185 0.83 JAK3 (0.40) JAK3SYKCYP2C9MAPK1PRKCI
SCHEMBL2281146 0.83 JAK3 (0.44) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL2275354 0.83 JAK3 (0.40) JAK3SYKCYP2C9JAK2JAK1

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