SCHEMBL4158014

SCHEMBL4158014

CC(Nc1nccc(Nc2cc(CCc3ccco3)n[nH]2)n1)c1cnco1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.39
FGFR1 P11362 3/20 0.39
KDR P35968 3/20 0.39
PAK1 Q13153 7/20 0.37
PAK3 O75914 6/20 0.37
PAK2 Q13177 6/20 0.37
NTRK1 P04629 1/20 0.36
SRC P12931 3/20 0.34
IDH1 O75874 1/20 0.34
ABL1 P00519 1/20 0.34
YES1 P07947 1/20 0.34
HCK P08631 1/20 0.34
HTR7 P34969 1/20 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
SCHEMBL4147235 0.88 IGF1R (0.36) IGF1RFGFR1KDR
SCHEMBL4159933 0.87 IGF1R (0.39) IGF1RFGFR1KDRPAK1PAK3
SCHEMBL4557094 0.86 IGF1R (0.36) IGF1RFGFR1KDRPAK1PAK3
SCHEMBL4161747 0.84 NTRK1 (0.35) IGF1RFGFR1KDRPAK1PAK3
SCHEMBL4167900 0.84 IGF1R (0.46) IGF1RFGFR1KDRPAK1PAK3
SCHEMBL4169882 0.82 HTR7 (0.39) IGF1RFGFR1KDRNTRK1IDH1
SCHEMBL4159559 0.81 IGF1R (0.36) IGF1RFGFR1KDRPAK1PAK3
SCHEMBL4159418 0.80 IGF1R (0.37) IGF1RFGFR1KDRPAK1PAK3
SCHEMBL3942011 0.77 IGF1R (0.40) IGF1RFGFR1KDR
SCHEMBL4162734 0.77 HTR7 (0.41) NTRK1IDH1ABL1HTR7

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