SCHEMBL2457738

SCHEMBL2457738

NC(=O)C(N1CCCC1)C1(C(=O)O)CCC(C2=C3C=NC=C[N+]3(N)C(c3cccc(OCc4ccccc4)c3)=N2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.37
SPHK2 Q9NRA0 2/20 0.37
BTK Q06187 1/20 0.36
IGF1R P08069 7/20 0.36
F10 P00742 3/20 0.34
POLB P06746 1/20 0.34
F9 P00740 1/20 0.33
AURKA O14965 1/20 0.33
ROCK2 O75116 1/20 0.33
PAK4 O96013 1/20 0.33
CHEK2 O96017 1/20 0.33
INSR P06213 1/20 0.33
LCK P06239 1/20 0.33
CSF1R P07333 1/20 0.33
LYN P07948 1/20 0.33
FGFR1 P11362 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MARK3 P27448 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL2457720 0.88 IGF1R (0.34) SPHK1SPHK2BTKIGF1RF10
SCHEMBL2457199 0.86 IGF1R (0.34) SPHK1SPHK2BTKIGF1RF10
SCHEMBL2457743 0.85 KDM4E (0.34) SPHK1SPHK2BTKIGF1RF10
SCHEMBL2460164 0.85 ACACB (0.35) SPHK2IGF1RF10
SCHEMBL2462745 0.85 IGF1R (0.34) BTKIGF1RF10F9
SCHEMBL2461705 0.84 KCNH2 (0.32) SPHK1SPHK2BTKIGF1RF10
SCHEMBL5115303 0.83 IGF1R (0.35) SPHK1SPHK2BTKIGF1RF10
SCHEMBL2460493 0.83 IGF1R (0.52) SPHK1SPHK2BTKIGF1RF10
SCHEMBL5109184 0.82 IGF1R (0.34) SPHK1SPHK2BTKIGF1RF10
SCHEMBL2460551 0.82 IGF1R (0.48) SPHK1SPHK2BTKIGF1RF10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675860-B1 IMIDAZO[1,5-A]PYRAZINES AS TYROSINE KINASE INHIBITORS OSI PHARM INC (US) 2011-09-21 EP claimed
EP-1675860-B1 IMIDAZO[1,5-A]PYRAZINES AS TYROSINE KINASE INHIBITORS OSI PHARM INC (US) 2011-09-21 EP disclosed
US-7459554-B2 Imidazopyrazine tyrosine kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed