SCHEMBL4099760

SCHEMBL4099760

COc1cc(COc2cc(Nc3ccnc(NCc4ccccn4)n3)n[nH]2)cc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 14/20 0.74
FGFR1 P11362 9/20 0.74
KDR P35968 8/20 0.74
INSR P06213 1/20 0.50
KCNH2 Q12809 1/20 0.41
PDE6D O43924 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE6H Q13956 1/20 0.41
PDE10A Q9Y233 1/20 0.41
EGFR P00533 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3980174 0.83 IGF1R (0.56) IGF1RFGFR1KDRINSRKCNH2
SCHEMBL3982541 0.81 IGF1R (0.77) IGF1RFGFR1KDRINSRKCNH2
SCHEMBL4010896 0.81 IGF1R (0.75) IGF1RFGFR1KDRINSR
SCHEMBL13844709 0.80 FGFR1 (0.86) IGF1RFGFR1KDRINSREGFR
Hydrochloric Acid SCHEMBL4106603 0.79 FGFR1 (0.85) IGF1RFGFR1KDRINSREGFR
SCHEMBL4006828 0.79 IGF1R (0.47) IGF1RFGFR1KDRINSREGFR
SCHEMBL4100222 0.78 IGF1R (0.48) IGF1RFGFR1KDRKCNH2PDE6D
SCHEMBL4014265 0.77 IGF1R (0.70) IGF1RFGFR1KDRINSR
SCHEMBL3983403 0.76 IGF1R (0.67) IGF1RFGFR1KDRINSREGFR
SCHEMBL5109468 0.73 IGF1R (0.65) IGF1RFGFR1KDRINSR

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
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed