SCHEMBL3780588

SCHEMBL3780588

COc1nc(NC(C)C)c2nc(-c3ccc(F)cc3)nnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CNR2 P34972 3/20 0.34
ACP1 P24666 1/20 0.34
KCNH3 Q9ULD8 1/20 0.33
MAPT P10636 2/20 0.32
MITF O75030 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
FPR2 P25090 2/20 0.31
SCN9A Q15858 2/20 0.31
MAPK14 Q16539 3/20 0.31
MAPK10 P53779 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL3704729 0.83 CNR2 (0.39) SMN1; SMN2CNR2HTTNPC1RAB9A
SCHEMBL3778147 0.81 CNR2 (0.42) LMNASMN1; SMN2MEN1KMT2ACNR2
SCHEMBL3789880 0.78 LMNA (0.45) LMNASMN1; SMN2MEN1KMT2ACNR2
SCHEMBL3782999 0.78 KCNH3 (0.41) LMNASMN1; SMN2MEN1KMT2AKCNH3
SCHEMBL3787051 0.71 MEN1 (0.39) LMNASMN1; SMN2MEN1KMT2AKCNH3
SCHEMBL3781431 0.70 EGFR (0.42) LMNAMEN1KMT2AMAPTHTT
SCHEMBL3791356 0.68 PTPN7 (0.40) LMNAMEN1KMT2AMAPTHTT
SCHEMBL3785492 0.68 CTSL (0.41) LMNAMEN1KMT2AMAPTHTT
SCHEMBL25333149 0.67 CNR2 (0.50) CNR2NPC1RAB9A
SCHEMBL20640073 0.67 CNR2 (0.50) CNR2NPC1RAB9A

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 1 patent. 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