SCHEMBL4752216

SCHEMBL4752216

C=CCCOc1cc(-c2ccnc(Nc3ccc(OCCCN4CCCC4)c(COCC=C)c3)n2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.39
SYK P43405 6/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
ABL1 P00519 3/20 0.36
BCR P11274 3/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
EGFR P00533 1/20 0.36
INSR P06213 1/20 0.36
MET P08581 1/20 0.36
CDK2 P24941 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MAPT P10636 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
AIMP2 Q13155 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
SCHEMBL4749275 0.96 ABL1 (0.39) IGF1RSYKIKBKETBK1ABL1
SCHEMBL14022857 0.89 IGF1R (0.40) IGF1RSYKEHMT2EHMT1IKBKE
SCHEMBL4751809 0.85 ABL1 (0.42) IGF1RSYKIKBKETBK1ABL1
SCHEMBL14023511 0.85 ABL1 (0.40) IGF1RSYKIKBKETBK1ABL1
SCHEMBL4752976 0.84 AXL (0.46) IGF1RSYKIKBKETBK1ABL1
SCHEMBL1098407 0.82 ABL1 (0.43) IGF1RSYKIKBKETBK1ABL1
SCHEMBL1108273 0.82 AIMP2 (0.47) SYKABL1BCREGFRCDK2
SCHEMBL1098622 0.82 ABL1 (0.40) IGF1RSYKIKBKETBK1ABL1
SCHEMBL4753008 0.82 CCNA2 (0.47) SYKCDK2
SCHEMBL14023524 0.81 RET (0.38) IGF1RSYKABL1BCRPIK3C3

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
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed