SCHEMBL2344634

SCHEMBL2344634

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.41
SYK P43405 4/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRKCI P41743 1/20 0.40
MAPK1 P28482 1/20 0.39
KIT P10721 1/20 0.39
ATR Q13535 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2D6 P10635 1/20 0.39
GRK6 P43250 1/20 0.38
MAP4K1 Q92918 2/20 0.37
JAK2 O60674 2/20 0.37
TRPV3 Q8NET8 1/20 0.37
JAK1 P23458 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37

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
SCHEMBL2276900 0.88 JAK3 (0.44) JAK3SYKCYP2C9PRKCIMAPK1
SCHEMBL2281146 0.88 JAK3 (0.44) JAK3SYKFFAR4CYP2C9PRKCI
SCHEMBL14655483 0.86 ATR (0.44) JAK3SYKFFAR4CYP2C9PRKCI
SCHEMBL2344632 0.84 JAK3 (0.55) JAK3SYKCYP2C9PRKCIMAPK1
SCHEMBL2278709 0.84 JAK3 (0.55) JAK3SYKCYP2C9PRKCIMAPK1
SCHEMBL2281125 0.83 JAK3 (0.54) JAK3SYKCYP2C9PRKCIMAPK1
SCHEMBL2361899 0.83 JAK3 (0.39) JAK3SYKFFAR4CYP2C9PRKCI
SCHEMBL2273872 0.83 SYK (0.58) SYKKCNH2CYP2D6
SCHEMBL2278520 0.82 JAK3 (0.55) JAK3SYKCYP2C9PRKCIMAPK1
SCHEMBL2278185 0.82 JAK3 (0.40) JAK3SYKCYP2C9PRKCIMAPK1

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