SCHEMBL12438699

SCHEMBL12438699

CCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.75
SRC P12931 11/20 0.61
INSR P06213 5/20 0.61
LCK P06239 5/20 0.61
LYN P07948 4/20 0.61
ROCK2 O75116 3/20 0.61
FGFR1 P11362 3/20 0.61
FLT4 P35916 3/20 0.61
KDR P35968 3/20 0.61
FLT3 P36888 3/20 0.61
AURKA O14965 2/20 0.61
CHEK2 O96017 2/20 0.61
CSF1R P07333 2/20 0.61
RPS6KB1 P23443 2/20 0.61
MARK3 P27448 2/20 0.61
CSNK1D P48730 2/20 0.61
BLK P51451 2/20 0.61
NEK2 P51955 2/20 0.61
LIMK1 P53667 2/20 0.61
STK3 Q13188 2/20 0.61

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
SCHEMBL14050381 0.87 IGF1R (0.72) IGF1RSRCINSRLCKLYN
SCHEMBL11345506 0.86 IGF1R (1.00) IGF1RSRCINSRLCKLYN
SCHEMBL15721542 0.85 IGF1R (0.80) IGF1RSRCINSRLCKLYN
SCHEMBL11411928 0.83 IGF1R (0.78) IGF1RSRCINSRLCKLYN
SCHEMBL15576330 0.83 SRC (0.68) SRCLCKKDRRIPK2EGFR
SCHEMBL11343650 0.83 IGF1R (0.77) IGF1RSRCINSRLCKLYN
SCHEMBL7845816 0.82 SRC (0.76) IGF1RSRCINSRLCKLYN
SCHEMBL11342654 0.81 IGF1R (1.00) IGF1RSRCINSRLCKLYN
SCHEMBL15580710 0.81 IGF1R (0.61) IGF1RSRCINSRLCKLYN
Dimethylamine SCHEMBL7844070 0.81 SRC (0.64) IGF1RSRCINSRLCKLYN

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
EP-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 EP disclosed