SCHEMBL6014676

SCHEMBL6014676

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.39
IGF1R P08069 5/20 0.39
KCNH2 Q12809 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
BTK Q06187 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PTGIR P43119 2/20 0.36
DHODH Q02127 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL5442115 0.91 SLC6A2 (0.39) SPHK1IGF1RBTKJAK2JAK1
SCHEMBL5437301 0.91 IGF1R (0.40) SPHK1IGF1RBTKJAK2JAK1
SCHEMBL2460551 0.85 IGF1R (0.48) SPHK1IGF1RKCNH2SPHK2BTK
SCHEMBL2459807 0.84 IGF1R (0.47) SPHK1IGF1RKCNH2SPHK2JAK2
SCHEMBL2457374 0.83 IGF1R (0.43) IGF1RKCNH2JAK2JAK1MRGPRX4
SCHEMBL6014584 0.82 SLC6A2 (0.39) SPHK1IGF1RSPHK2JAK2JAK1
SCHEMBL2460636 0.81 IGF1R (0.39) IGF1RMRGPRX4
SCHEMBL2460257 0.80 IGF1R (0.40) SPHK1IGF1RSPHK2
SCHEMBL3537676 0.80 MRGPRX4 (0.42) SPHK1SPHK2BTKJAK2DHODH
SCHEMBL2458133 0.80 IGF1R (0.41) IGF1RJAK2JAK1DHODH

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

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