SCHEMBL5138768

SCHEMBL5138768

[AsH2]c1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1=CC=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.36
EGFR P00533 8/20 0.36
ABL1 P00519 7/20 0.36
ABL2 P42684 7/20 0.36
KDR P35968 5/20 0.36
CDK1 P06493 4/20 0.36
IGF1R P08069 6/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.32
INSR P06213 2/20 0.31
RIPK2 O43353 1/20 0.31
ROCK2 O75116 1/20 0.31
LATS1 O95835 1/20 0.31
LCK P06239 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
SCHEMBL399404 0.88 SRC (0.51) SRCEGFRABL1ABL2KDR
SCHEMBL397596 0.78 SRC (0.43) SRCEGFRABL1ABL2KDR
SCHEMBL5138765 0.77 SRC (0.53) SRCEGFRABL1ABL2KDR
SCHEMBL5137561 0.76 TP53 (0.41) SRCEGFRTP53LMNAMAPT
SCHEMBL398363 0.75 SRC (0.68) SRCEGFRABL1ABL2KDR
SCHEMBL400111 0.75 SRC (0.46) SRCEGFRABL1ABL2KDR
SCHEMBL399678 0.74 SRC (0.49) SRCEGFRABL1ABL2KDR
SCHEMBL401232 0.74 SRC (0.40) SRCEGFRABL1ABL2KDR
SCHEMBL402145 0.73 SRC (0.45) SRCEGFRABL1ABL2KDR
SCHEMBL400407 0.73 SRC (0.48) SRCEGFRABL1ABL2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed