SCHEMBL2553874

SCHEMBL2553874

Nc1nc2ccc(Sc3nnc4ccc(C5CC5)nn34)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.66
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 6/20 0.41
ABL1 P00519 1/20 0.40
NQO2 P16083 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
PDE3B Q13370 1/20 0.40
DYRK1A Q13627 1/20 0.40
PDE3A Q14432 1/20 0.40
MAP3K19 Q56UN5 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL2549768 0.88 MET (0.51) METCYP3A4ABL1NQO2MAPK8
SCHEMBL2552619 0.84 MET (0.54) METKCNH2CYP3A4ABL1NQO2
SCHEMBL3719696 0.82 MET (0.60) METKCNH2CYP3A4
SCHEMBL13030053 0.82 MET (0.67) METKCNH2CYP3A4ABL1NQO2
SCHEMBL2550247 0.82 MET (0.64) METCYP3A4
SCHEMBL3720638 0.81 MET (0.58) METKCNH2CYP3A4
SCHEMBL3722190 0.81 MET (0.58) METKCNH2CYP3A4
SCHEMBL2555024 0.81 MET (0.74) METCYP3A4
SCHEMBL2765221 0.80 MET (0.58) METKCNH2CYP3A4
SCHEMBL3720020 0.80 MET (0.58) METKCNH2CYP3A4

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-2011121223-A1 6-(ALKYL- OR CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLE DERIVATIVES: PREPARATION, APPLICATION AS MEDICAMENTS AND USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-06 WO claimed
WO-2011121223-A1 6-(ALKYL- OR CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLE DERIVATIVES: PREPARATION, APPLICATION AS MEDICAMENTS AND USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-06 WO disclosed