SCHEMBL3706380

SCHEMBL3706380

CCCCNc1nc(OC)c2nc(-c3ccc(F)cc3)nnc2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.42
CNR2 P34972 6/20 0.39
GBA1 P04062 1/20 0.37
MERTK Q12866 3/20 0.36
AXL P30530 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PTGS1 P23219 1/20 0.35
SCN9A Q15858 1/20 0.35
CHRNA7 P36544 1/20 0.34
HTR2A P28223 1/20 0.34
ACP1 P24666 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
SCHEMBL3713217 0.90 KCNH3 (0.41) KCNH3CNR2MERTKAXLPTGS1
SCHEMBL3781206 0.89 CNR2 (0.36) CNR2
SCHEMBL3788039 0.85 MAPT (0.44) KCNH3CNR2
SCHEMBL3785711 0.82 KCNH3 (0.43) KCNH3
SCHEMBL3782999 0.79 KCNH3 (0.41) KCNH3SCN9A
SCHEMBL3779747 0.79 MPO (0.38) CNR2
SCHEMBL3776179 0.78 MPO (0.39) CNR2
SCHEMBL3787119 0.76 KCNH3 (0.39) KCNH3
SCHEMBL3789583 0.76 MERTK (0.49) KCNH3MERTKAXLACP1
SCHEMBL3782046 0.74 MPO (0.45) KCNH3HTR2A

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
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO claimed
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed