SCHEMBL5262586

SCHEMBL5262586

CNc1ncnc(-c2cccnc2Oc2ccc(OC)c(C(=O)Nc3cc(C(F)(F)F)ccc3NCCCCN(C)C)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 19/20 0.69
KDR P35968 13/20 0.69
LCK P06239 3/20 0.69
EGFR P00533 2/20 0.69
IGF1R P08069 2/20 0.69
MET P08581 2/20 0.69
SRC P12931 2/20 0.69
ZAP70 P43403 2/20 0.69
MAPK10 P53779 2/20 0.69
BTK Q06187 2/20 0.69
MAPK14 Q16539 2/20 0.69
AURKA O14965 1/20 0.69
ABL1 P00519 1/20 0.69
NTRK1 P04629 1/20 0.69
INSR P06213 1/20 0.69
FES P07332 1/20 0.69
CSF1R P07333 1/20 0.69
LYN P07948 1/20 0.69
RET P07949 1/20 0.69
PDGFRB P09619 1/20 0.69

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
SCHEMBL1265909 0.89 TEK (0.86) TEKKDRLCKEGFRIGF1R
SCHEMBL2296592 0.87 TEK (0.66) TEKKDRLCKEGFRIGF1R
SCHEMBL5260411 0.86 TEK (0.80) TEKKDRLCKEGFRIGF1R
SCHEMBL2295619 0.85 TEK (0.67) TEKKDRLCKEGFRIGF1R
SCHEMBL5262484 0.84 TEK (0.68) TEKKDRLCKEGFRIGF1R
SCHEMBL1264851 0.83 TEK (0.75) TEKKDRLCKEGFRIGF1R
SCHEMBL2296099 0.82 TEK (0.63) TEKKDRLCKEGFRIGF1R
SCHEMBL1264383 0.81 TEK (1.00) TEKKDRLCKEGFRIGF1R
SCHEMBL5264723 0.81 TEK (0.80) TEKKDRLCKEGFRIGF1R
SCHEMBL1265611 0.79 TEK (0.77) TEKKDRLCKEGFRIGF1R

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-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP claimed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO claimed