SCHEMBL12438592

SCHEMBL12438592

CN1CCN(c2cc(Nc3cc(C4CC4)n[nH]3)nc(NCc3cc(C4=CCC(F)C=C4)no3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.55
BMPR1B O00238 1/20 0.53
PLK4 O00444 1/20 0.53
AURKA O14965 1/20 0.53
EPHB6 O15197 1/20 0.53
STK10 O94804 1/20 0.53
PRKD3 O94806 1/20 0.53
PAK4 O96013 1/20 0.53
ABL1 P00519 1/20 0.53
NTRK1 P04629 1/20 0.53
INSR P06213 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
YES1 P07947 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
HCK P08631 1/20 0.53
BCR P11274 1/20 0.53
FGFR1 P11362 1/20 0.53
SRC P12931 1/20 0.53

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
SCHEMBL4464527 0.83 IGF1R (0.74) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL11938878 0.83 IGF1R (0.78) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL4472036 0.83 IGF1R (0.78) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL11342057 0.83 IGF1R (0.78) IGF1R
SCHEMBL4453380 0.82 IGF1R (0.75) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL4468178 0.82 IGF1R (0.78) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL11347992 0.80 IGF1R (0.80) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL11352232 0.76 IGF1R (0.76) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL11932244 0.76 IGF1R (0.77) IGF1R
SCHEMBL1789663 0.76 IGF1R (0.77) IGF1RBMPR1BPLK4AURKAEPHB6

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