SCHEMBL3788039

SCHEMBL3788039

COc1nc(NCc2ccc(F)cc2)nc2nnc(-c3ccc(F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CNR2 P34972 3/20 0.40
KCNH3 Q9ULD8 2/20 0.40
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 4/20 0.39
F2 P00734 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3785711 0.94 KCNH3 (0.43) MAPTKCNH3KDM4EF2MAPK1
SCHEMBL3781206 0.89 CNR2 (0.36) MAPTCNR2SMN1; SMN2MEN1KMT2A
SCHEMBL3787119 0.88 KCNH3 (0.39) MAPTKCNH3KDM4EF2PTGS2
SCHEMBL3706380 0.85 KCNH3 (0.42) CNR2KCNH3
SCHEMBL3780333 0.83 CNR2 (0.48) MAPTCNR2KDM4EMAPK1SMN1; SMN2
SCHEMBL3782046 0.83 MPO (0.45) MAPTKCNH3ADORA2AKDM4EMAPK1
SCHEMBL3782999 0.82 KCNH3 (0.41) KCNH3SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13286377 0.80 CNR2 (0.51) MAPTCNR2ADORA2AKDM4EMAPK1
SCHEMBL3778147 0.80 CNR2 (0.42) MAPTCNR2KDM4EF2MAPK1
SCHEMBL3783407 0.79 CA1 (0.42) MAPTPTGS2TP53GAA

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