SCHEMBL2457199

SCHEMBL2457199

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.34
SPHK1 Q9NYA1 2/20 0.33
SPHK2 Q9NRA0 1/20 0.33
KCNH2 Q12809 1/20 0.33
BTK Q06187 1/20 0.33
DHODH Q02127 2/20 0.33
F10 P00742 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
ADAM17 P78536 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL5115303 0.88 IGF1R (0.35) IGF1RSPHK1SPHK2KCNH2BTK
SCHEMBL5109184 0.88 IGF1R (0.34) IGF1RSPHK1SPHK2KCNH2BTK
SCHEMBL2457720 0.86 IGF1R (0.34) IGF1RSPHK1SPHK2KCNH2BTK
SCHEMBL2457738 0.86 SPHK1 (0.37) IGF1RSPHK1SPHK2BTKF10
SCHEMBL2460164 0.84 ACACB (0.35) IGF1RSPHK2F10JAK2JAK1
SCHEMBL2457743 0.84 KDM4E (0.34) IGF1RSPHK1SPHK2KCNH2BTK
SCHEMBL2460551 0.83 IGF1R (0.48) IGF1RSPHK1SPHK2KCNH2BTK
SCHEMBL2462745 0.83 IGF1R (0.34) IGF1RKCNH2BTKF10JAK2
SCHEMBL5106302 0.83 PARP10 (0.36) IGF1RSPHK1SPHK2KCNH2BTK
SCHEMBL2460657 0.83 ADAM17 (0.39) IGF1RSPHK1KCNH2BTKF10

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