SCHEMBL10272242

SCHEMBL10272242

CCCC(Nc1cc(Nc2cc(C)ns2)c(C(N)=O)cc1F)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.33
JAK3 P52333 3/20 0.33
LCK P06239 2/20 0.33
MAP2K2 P36507 4/20 0.32
MAP2K1 Q02750 4/20 0.32
SYK P43405 5/20 0.32
TNF P01375 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19901787 1.00 BTK (0.33) BTKJAK3LCKMAP2K2MAP2K1
SCHEMBL9109019 0.92 SYK (0.35) BTKJAK3LCKMAP2K2MAP2K1
SCHEMBL9109057 0.92 SYK (0.35) BTKJAK3LCKMAP2K2MAP2K1
SCHEMBL2716898 0.88 SYK (0.40) SYK
SCHEMBL2716876 0.88 SYK (0.40) SYK
SCHEMBL2729967 0.87 MAP2K2 (0.32) MAP2K2MAP2K1SYKTNFIRAK4
SCHEMBL2729975 0.87 MAP2K2 (0.32) MAP2K2MAP2K1SYKTNFIRAK4
SCHEMBL2729140 0.87 SYK (0.35) BTKJAK3LCKMAP2K2MAP2K1
SCHEMBL2715508 0.85 BTK (0.33) BTKJAK3LCKMAP2K2MAP2K1
SCHEMBL2715519 0.85 BTK (0.33) BTKJAK3LCKMAP2K2MAP2K1

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
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed