SCHEMBL12438433

SCHEMBL12438433

CN1CCN(c2cc(Nc3cc(C4CC4)n[nH]3)nc(NCC3CC(c4ccnc(N)n4)=NO3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.55
AURKA O14965 3/20 0.40
RET P07949 2/20 0.40
BMPR1B O00238 1/20 0.40
PLK4 O00444 1/20 0.40
EPHB6 O15197 1/20 0.40
STK10 O94804 1/20 0.40
PRKD3 O94806 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
YES1 P07947 1/20 0.40
LYN P07948 1/20 0.40
HCK P08631 1/20 0.40
BCR P11274 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL14050704 0.85 IGF1R (0.48) IGF1RAURKARETBMPR1BPLK4
SCHEMBL11347992 0.82 IGF1R (0.80) IGF1RAURKARETBMPR1BPLK4
SCHEMBL11415916 0.79 IGF1R (0.69) IGF1RAURKARETBMPR1BPLK4
SCHEMBL12439393 0.77 IGF1R (0.49) IGF1RAURKAAURKB
SCHEMBL12439829 0.77 IGF1R (0.52) IGF1RAURKAAURKB
SCHEMBL14310345 0.77 IGF1R (0.44) IGF1RAURKARETBMPR1BPLK4
SCHEMBL14162124 0.76 IGF1R (0.49) IGF1RAURKARETBMPR1BPLK4
SCHEMBL12438589 0.74 IGF1R (0.50) IGF1RAURKARETBMPR1BPLK4
SCHEMBL12439398 0.72 IGF1R (0.53) IGF1RABL1LCKFGFR1SRC
SCHEMBL4464527 0.72 IGF1R (0.74) IGF1RAURKARETBMPR1BPLK4

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