SCHEMBL5442115

SCHEMBL5442115

COC(=O)C1CCCCC1C1=C2C=NC=C[N+]2(N)C(c2cccc(OCc3ccccc3)c2)=N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
IGF1R P08069 5/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 1/20 0.37
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC4 P56524 1/20 0.35
DHODH Q02127 2/20 0.34
ALOX5 P09917 1/20 0.34
BTK Q06187 1/20 0.34
CPB1 P15086 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL5437301 0.92 IGF1R (0.40) IGF1RJAK2JAK1RAB9AHDAC4
SCHEMBL6014676 0.91 SPHK1 (0.39) IGF1RJAK2JAK1DHODHBTK
SCHEMBL6014584 0.91 SLC6A2 (0.39) SLC6A2SLC6A4IGF1RJAK2JAK1
SCHEMBL2458133 0.86 IGF1R (0.41) IGF1RJAK2JAK1HDAC4DHODH
SCHEMBL5139012 0.81 SLC6A2 (0.43) SLC6A2SLC6A4IGF1RALOX5
SCHEMBL2457374 0.81 IGF1R (0.43) IGF1RJAK2JAK1
SCHEMBL2463470 0.81 IGF1R (0.51) IGF1RJAK2JAK1HDAC4
SCHEMBL2460551 0.80 IGF1R (0.48) IGF1RJAK2JAK1RAB9ABTK
SCHEMBL2459690 0.80 IGF1R (0.37) IGF1RALOX5
SCHEMBL2460657 0.80 ADAM17 (0.39) IGF1RJAK2JAK1HDAC4BTK

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
JP-2007509060-A 2007-04-12 JP claimed
EP-1675860-A2 IMIDAZO[1,5-A]PYRAZINE TYROSINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-07-05 EP claimed
WO-2005037836-A2 IMIDAZO ‘1, 5 - A ! PYRAZINE TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-04-28 WO claimed