SCHEMBL12439820

SCHEMBL12439820

Cc1cc(N)nc(NCc2cc(C(C)C)no2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 19/20 0.58
EPHX2 P34913 1/20 0.42
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
EPHB6 O15197 1/20 0.39
STK10 O94804 1/20 0.39
PRKD3 O94806 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
YES1 P07947 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
HCK P08631 1/20 0.39
BCR P11274 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL14311612 0.80 IGF1R (0.59) IGF1REPHX2FGFR1
SCHEMBL15721473 0.78 IGF1R (0.65) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL12439430 0.77 IGF1R (0.67) IGF1R
SCHEMBL15580721 0.75 IGF1R (0.62) IGF1R
SCHEMBL12439431 0.75 IGF1R (0.68) IGF1R
SCHEMBL4012617 0.74 IGF1R (1.00) IGF1R
SCHEMBL14310329 0.74 IGF1R (0.66) IGF1R
SCHEMBL18884429 0.73 EPHX2 (0.48) IGF1REPHX2
SCHEMBL15580740 0.72 IGF1R (0.40) IGF1REPHX2
SCHEMBL9315976 0.71 IGF1R (0.55) IGF1REPHX2

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-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 EP disclosed
WO-2008005538-A2 METHODS OF USING IGF1R AND ABL KINASE MODULATORS EXELIXIS, INC. (US) 2008-01-10 WO disclosed