SCHEMBL4167900

SCHEMBL4167900

COc1cc(CCc2cc(Nc3ccnc(NC(C)c4cnco4)n3)[nH]n2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.46
FGFR1 P11362 5/20 0.46
KDR P35968 5/20 0.46
INSR P06213 1/20 0.44
FGFR3 P22607 4/20 0.36
NTRK1 P04629 1/20 0.35
IDH1 O75874 1/20 0.34
PAK3 O75914 1/20 0.34
PAK1 Q13153 1/20 0.34
PAK2 Q13177 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
FGFR2 P21802 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
SCHEMBL4159418 0.90 IGF1R (0.37) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4159559 0.87 IGF1R (0.36) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4159933 0.86 IGF1R (0.39) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4169882 0.85 HTR7 (0.39) IGF1RFGFR1KDRNTRK1IDH1
SCHEMBL4158014 0.84 IGF1R (0.39) IGF1RFGFR1KDRNTRK1IDH1
SCHEMBL4160491 0.83 IGF1R (0.41) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4161747 0.82 NTRK1 (0.35) IGF1RFGFR1KDRNTRK1IDH1
SCHEMBL3980913 0.77 FGFR1 (0.50) IGF1RFGFR1KDRINSRFGFR3
SCHEMBL4162734 0.76 HTR7 (0.41) NTRK1IDH1JAK2JAK3
SCHEMBL3985659 0.76 JAK2 (0.51) IGF1RFGFR1KDRINSRNTRK1

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