SCHEMBL5250427

SCHEMBL5250427

Nc1ncnc(N)c1C#Cc1ccc(NC(=O)OC(=O)N(c2ccccc2)c2cccc(C#Cc3c(N)ncnc3N)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
KDR P35968 1/20 0.37
PTPN11 Q06124 2/20 0.36
PTPN1 P18031 2/20 0.35
ADK P55263 2/20 0.35
HTT P42858 1/20 0.34
RET P07949 1/20 0.34
PTPN6 P29350 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL5250424 0.86 KDR (0.38) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL3581653 0.81 ADK (0.38) KDRADKRET
SCHEMBL4721937 0.80 ADK (0.37) KDRADKRET
SCHEMBL4719226 0.75 KDR (0.58) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL4718135 0.75 ADK (0.48) ADKRET
SCHEMBL13499920 0.74 CYP1A2 (0.49) SMN1; SMN2KDM4EMAPTKMT2AKDR
SCHEMBL4717817 0.73 RAB9A (0.45) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4719248 0.71 PTPN11 (0.50) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL5251355 0.71 KDR (0.54) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL5302989 0.70 ABL1 (0.45) KDRADKHTT

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-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed