SCHEMBL4160491

SCHEMBL4160491

COc1cccc(CCc2cc(Nc3ccnc(NC(c4ncccn4)c4cnco4)n3)[nH]n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.41
KDR P35968 5/20 0.41
FGFR1 P11362 5/20 0.41
EGFR P00533 1/20 0.37
INSR P06213 1/20 0.37
NTRK1 P04629 1/20 0.34
NR3C2 P08235 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ROCK1 Q13464 3/20 0.33
EPHB4 P54760 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL4147235 0.83 IGF1R (0.36) IGF1RKDRFGFR1
SCHEMBL4167900 0.83 IGF1R (0.46) IGF1RKDRFGFR1INSRNTRK1
SCHEMBL4159933 0.78 IGF1R (0.39) IGF1RKDRFGFR1INSRNTRK1
SCHEMBL3983403 0.77 IGF1R (0.67) IGF1RKDRFGFR1EGFRINSR
SCHEMBL3985659 0.77 JAK2 (0.51) IGF1RKDRFGFR1EGFRINSR
SCHEMBL4094616 0.77 JAK2 (0.51) IGF1RKDRFGFR1EGFRINSR
SCHEMBL4159559 0.77 IGF1R (0.36) IGF1RKDRFGFR1EGFRINSR
SCHEMBL3934716 0.76 NR3C2 (0.44) IGF1RKDRFGFR1EGFRNTRK1
SCHEMBL4169882 0.76 HTR7 (0.39) IGF1RKDRFGFR1NTRK1
SCHEMBL3950749 0.75 IGF1R (0.67) IGF1RKDRFGFR1EGFRINSR

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-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed