SCHEMBL3983403

SCHEMBL3983403

COc1cccc(CCc2cc(Nc3ccnc(NCc4ccccn4)n3)[nH]n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.67
FGFR1 P11362 7/20 0.67
KDR P35968 7/20 0.67
INSR P06213 1/20 0.45
ABCB1 P08183 3/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
EGFR P00533 1/20 0.43
CLK4 Q9HAZ1 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3982541 0.93 IGF1R (0.77) IGF1RFGFR1KDRINSR
SCHEMBL13844709 0.88 FGFR1 (0.86) IGF1RFGFR1KDRINSRABCB1
Hydrochloric Acid SCHEMBL4106603 0.87 FGFR1 (0.85) IGF1RFGFR1KDRINSRABCB1
SCHEMBL3950749 0.86 IGF1R (0.67) IGF1RFGFR1KDRINSREGFR
SCHEMBL3981643 0.86 IGF1R (0.50) IGF1RFGFR1KDRINSREGFR
SCHEMBL3940507 0.84 IGF1R (0.66) IGF1RFGFR1KDRINSR
SCHEMBL5096569 0.83 IGF1R (0.53) IGF1RFGFR1KDRINSRCLK4
SCHEMBL3934716 0.83 NR3C2 (0.44) IGF1RFGFR1KDRABCB1HTR1A
SCHEMBL4015520 0.82 IGF1R (0.54) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL3985665 0.81 IGF1R (0.47) IGF1RFGFR1KDRINSREGFR

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