SCHEMBL1129574

SCHEMBL1129574

CC1(O)CC(c2nc(I)c3c(Cl)nccn23)C1.CC1(O)CC(c2ncc3c(Cl)nccn23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 19/20 0.42
RIPK2 O43353 1/20 0.37
ROCK2 O75116 1/20 0.37
LATS1 O95835 1/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
ABCB1 P08183 1/20 0.37
MET P08581 1/20 0.37
FGFR1 P11362 1/20 0.37
INSRR P14616 1/20 0.37
FECH P22830 1/20 0.37
MAPK3 P27361 1/20 0.37
MARK3 P27448 1/20 0.37
MAPK1 P28482 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37

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
SCHEMBL4359809 0.91 TNK2 (0.47) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL593984 0.91 TNK2 (0.47) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL4370132 0.88 TNK2 (0.40) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL593295 0.88 TNK2 (0.40) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL1566724 0.80 TNK2 (0.41) TNK2IGF1R
SCHEMBL14948254 0.78 TNK2 (0.48) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL399554 0.78 TNK2 (0.37) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL1129097 0.77 TNK2 (0.47) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL594577 0.77 TNK2 (0.47) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL593721 0.77 TNK2 (0.61) TNK2RIPK2ROCK2LATS1INSR

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-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed