SCHEMBL5115303

SCHEMBL5115303

NC(=O)CCC1(C(=O)O)CCC(C2=C3C=NC=C[N+]3(N)C(c3cccc(OCc4ccccc4)c3)=N2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.35
KCNH2 Q12809 1/20 0.34
BTK Q06187 1/20 0.33
F10 P00742 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
SPHK2 Q9NRA0 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
ADAM17 P78536 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL5109184 0.96 IGF1R (0.34) IGF1RKCNH2BTKF10JAK2
SCHEMBL2457199 0.88 IGF1R (0.34) IGF1RKCNH2BTKF10JAK2
SCHEMBL2457720 0.85 IGF1R (0.34) IGF1RKCNH2BTKF10JAK2
SCHEMBL2460551 0.84 IGF1R (0.48) IGF1RKCNH2BTKF10JAK2
SCHEMBL2462745 0.84 IGF1R (0.34) IGF1RKCNH2BTKF10JAK2
SCHEMBL5106302 0.84 PARP10 (0.36) IGF1RKCNH2BTKF10SPHK1
SCHEMBL2463354 0.84 IGF1R (0.39) IGF1RKCNH2BTKF10JAK2
SCHEMBL2460657 0.84 ADAM17 (0.39) IGF1RKCNH2BTKF10JAK2
SCHEMBL2457374 0.84 IGF1R (0.43) IGF1RKCNH2F10JAK2JAK1
SCHEMBL2457738 0.83 SPHK1 (0.37) IGF1RBTKF10SPHK1SPHK2

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
US-7459554-B2 Imidazopyrazine tyrosine kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed