SCHEMBL6014701

SCHEMBL6014701

OCC1(O)CC(c2ncc3c(Cl)nc(-c4cccc(OCc5ccccc5)c4)cn23)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
IGF1R P08069 13/20 0.39
TNK2 Q07912 1/20 0.39
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA7 P36544 3/20 0.38
CHRNA4 P43681 3/20 0.38
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6014697 0.92 IGF1R (0.38) BACE1IGF1RTNK2CHRNB2CHRNB4
SCHEMBL6014608 0.85 IGF1R (0.47) IGF1RTNK2CHRNB2CHRNB4CHRNA3
SCHEMBL5400865 0.82 IGF1R (0.43) IGF1RTNK2
SCHEMBL2464663 0.76 IGF1R (0.62) IGF1RTNK2
SCHEMBL6014681 0.75 IGF1R (0.53) IGF1RTNK2
SCHEMBL6014743 0.73 IGF1R (0.57) IGF1RTNK2
SCHEMBL5394889 0.72 IGF1R (0.48) IGF1RTNK2
SCHEMBL2457282 0.71 IGF1R (0.75) IGF1RTNK2
SCHEMBL1566436 0.71 IGF1R (0.49) IGF1R
SCHEMBL5415358 0.70 IGF1R (0.50) IGF1RTNK2

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