SCHEMBL4159418

SCHEMBL4159418

COc1cc(OC)cc(OCc2cc(Nc3ccnc(NC(C)c4cnco4)n3)[nH]n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.37
KDR P35968 5/20 0.37
FGFR1 P11362 3/20 0.37
INSR P06213 1/20 0.35
JAK2 O60674 4/20 0.34
JAK3 P52333 1/20 0.34
NTRK1 P04629 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
IDH1 O75874 1/20 0.33
EGFR P00533 1/20 0.33
PAK3 O75914 4/20 0.33
PAK1 Q13153 4/20 0.33
PAK2 Q13177 4/20 0.33

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
SCHEMBL4167900 0.90 IGF1R (0.46) IGF1RKDRFGFR1INSRJAK2
SCHEMBL4159559 0.84 IGF1R (0.36) IGF1RKDRFGFR1INSRJAK2
SCHEMBL4169882 0.81 HTR7 (0.39) IGF1RKDRFGFR1NTRK1IDH1
SCHEMBL4158014 0.80 IGF1R (0.39) IGF1RKDRFGFR1NTRK1IDH1
SCHEMBL4159933 0.79 IGF1R (0.39) IGF1RKDRFGFR1INSRNTRK1
SCHEMBL4161747 0.79 NTRK1 (0.35) IGF1RKDRFGFR1NTRK1IDH1
SCHEMBL4162734 0.78 HTR7 (0.41) JAK2JAK3NTRK1IDH1
SCHEMBL4153917 0.76 JAK2 (0.35) IGF1RKDRFGFR1JAK2JAK3
SCHEMBL4160491 0.74 IGF1R (0.41) IGF1RKDRFGFR1INSRNTRK1
SCHEMBL5096479 0.74 IGF1R (0.64) IGF1RKDRFGFR1INSR

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