SCHEMBL6627740

SCHEMBL6627740

Cc1nc(C)n2nc(-c3ccc(Br)cc3)nc(NCc3cc[c]cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
LMNA P02545 2/20 0.37
F2 P00734 3/20 0.37
RAB9A P51151 1/20 0.37
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
AHR P35869 1/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6291866 0.89 GSK3B (0.50) GSK3BF2RAB9ANR1H2NR1H3
SCHEMBL6288696 0.88 GSK3B (0.43) GSK3BLMNAF2RAB9ANR1H2
SCHEMBL6288538 0.87 MAPT (0.43) GSK3BLMNAF2RAB9AMAPT
SCHEMBL6291373 0.85 MAPT (0.46) GSK3BLMNAF2RAB9AMAPT
SCHEMBL6291831 0.82 MAPT (0.48) GSK3BLMNAMAPTTP53POLB
SCHEMBL6288383 0.81 MEN1 (0.44) GSK3BLMNAMAPTKMT2ATSHR
SCHEMBL6288572 0.79 TSHR (0.46) LMNARAB9AMAPTTP53KMT2A
SCHEMBL6288568 0.79 GSK3B (0.47) GSK3BLMNARAB9AMAPTTSHR
SCHEMBL5619875 0.68 EGFR (0.45) MAPTKMT2AMEN1GAA
SCHEMBL5620144 0.64 AHR (0.36) GSK3BLMNARAB9ANR1H2NR1H3

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-1404677-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003000693-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-03 WO disclosed