SCHEMBL21646352

SCHEMBL21646352

CSNc1ccn2cnnc2c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP2C9 P11712 1/20 0.32
MLLT1 Q03111 2/20 0.32
MLLT3 P42568 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
SCHEMBL25124546 0.82 MAPK1 (0.39) MAPK1ALOX5APFEN1CYP2C9MLLT1
SCHEMBL25124548 0.77 CYP2C9 (0.37) MAPK1ALOX5APFEN1CYP2C9MLLT1
SCHEMBL23055261 0.77 MAPK1 (0.36) MAPK1ALOX5APFEN1CYP2C9MLLT1
SCHEMBL22124957 0.72 MLLT1 (0.45) MAPK1ALOX5APFEN1CYP2C9MLLT1
SCHEMBL12093722 0.71 SMN1; SMN2 (0.43) MAPK1ALOX5APFEN1CYP2C9
SCHEMBL21646360 0.70 PRKCI (0.39)
SCHEMBL23817244 0.67 ALDH1A1 (0.45) MAPK1CYP2C9
SCHEMBL21580045 0.67 TLR9 (0.46) MAPK1ALOX5APFEN1CYP2C9
SCHEMBL15907160 0.67 MLLT1 (0.40) MAPK1ALOX5APFEN1CYP2C9MLLT1
Hydrochloric Acid SCHEMBL22124411 0.66 TLR9 (0.36) MAPK1ALOX5APFEN1CYP2C9

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-2020017587-A1 PYRIDAZINONE DERIVATIVE 大日本住友製薬株式会社 2020-01-23 WO disclosed