SCHEMBL5138765

SCHEMBL5138765

[AsH2]c1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.53
EGFR P00533 9/20 0.53
ABL1 P00519 8/20 0.53
ABL2 P42684 8/20 0.53
LCK P06239 3/20 0.48
KDR P35968 3/20 0.48
TEK Q02763 2/20 0.48
IGF1R P08069 5/20 0.47
LYN P07948 2/20 0.46
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
INSR P06213 1/20 0.46
NPM1 P06748 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
MET P08581 1/20 0.46
ROS1 P08922 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
BCR P11274 1/20 0.46

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
SCHEMBL399403 0.88 SRC (0.71) SRCEGFRABL1ABL2LCK
Carbamic Acid SCHEMBL19244734 0.82 EGFR (0.64) SRCEGFRABL1ABL2LCK
SCHEMBL27890217 0.82 SRC (0.49) SRCEGFRABL1ABL2LCK
SCHEMBL28763777 0.81 SRC (0.61) SRCEGFRABL1ABL2LCK
SCHEMBL19244733 0.79 SRC (0.60) SRCEGFRABL1ABL2LCK
SCHEMBL402582 0.79 SRC (0.61) SRCEGFRABL1ABL2LCK
SCHEMBL397595 0.78 SRC (0.61) SRCEGFRABL1ABL2LCK
SCHEMBL14193039 0.78 SRC (0.63) SRCEGFRABL1ABL2LCK
SCHEMBL400625 0.78 SRC (0.63) SRCEGFRABL1ABL2LCK
SCHEMBL400624 0.78 SRC (0.63) SRCEGFRABL1ABL2LCK

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