SCHEMBL3778147

SCHEMBL3778147

COc1nc(NCc2ccc(F)cc2)c2nc(-c3ccc(F)cc3)nnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
PTGS2 P35354 3/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
KDM4E B2RXH2 3/20 0.39
F2 P00734 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 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
SCHEMBL3789880 0.94 LMNA (0.45) CNR2MAPTMEN1KMT2ALMNA
SCHEMBL3781431 0.89 EGFR (0.42) MAPTMEN1KMT2ALMNAPTGS2
SCHEMBL3704729 0.88 CNR2 (0.39) CNR2SMN1; SMN2HTTCYP1A2
SCHEMBL3791356 0.87 PTPN7 (0.40) MAPTMEN1KMT2ALMNAPTGS2
SCHEMBL3785492 0.86 CTSL (0.41) MAPTMEN1KMT2ALMNAPTGS2
SCHEMBL13286377 0.81 CNR2 (0.51) CNR2MAPTMEN1KMT2ALMNA
SCHEMBL3780588 0.81 LMNA (0.42) CNR2MAPTMEN1KMT2ALMNA
SCHEMBL3788039 0.80 MAPT (0.44) CNR2MAPTMEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL3787729 0.79 MAPT (0.46) CNR2MAPTMEN1KMT2ALMNA
SCHEMBL3786275 0.78 USP10 (0.47) MAPTMEN1KMT2ALMNAPTGS2

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