SCHEMBL4159933

SCHEMBL4159933

CC(Nc1nccc(Nc2cc(CCc3cccnc3)n[nH]2)n1)c1cnco1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.39
FGFR1 P11362 5/20 0.39
KDR P35968 5/20 0.39
INSR P06213 1/20 0.38
HTR7 P34969 1/20 0.37
FLT3 P36888 1/20 0.36
NTRK1 P04629 1/20 0.35
IDH1 O75874 2/20 0.35
PAK1 Q13153 5/20 0.34
PAK3 O75914 4/20 0.34
PAK2 Q13177 4/20 0.34
ESR1 P03372 2/20 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
SCHEMBL4158014 0.87 IGF1R (0.39) IGF1RFGFR1KDRHTR7NTRK1
SCHEMBL4167900 0.86 IGF1R (0.46) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4169882 0.86 HTR7 (0.39) IGF1RFGFR1KDRHTR7NTRK1
SCHEMBL4161747 0.84 NTRK1 (0.35) IGF1RFGFR1KDRHTR7NTRK1
SCHEMBL4090615 0.83 JAK2 (0.47) IGF1RFGFR1KDRFLT3NTRK1
SCHEMBL4090625 0.83 JAK2 (0.47) IGF1RFGFR1KDRFLT3NTRK1
SCHEMBL4159559 0.80 IGF1R (0.36) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4159418 0.79 IGF1R (0.37) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4160491 0.78 IGF1R (0.41) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4153917 0.77 JAK2 (0.35) IGF1RFGFR1KDRHTR7FLT3

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