SCHEMBL6920247

SCHEMBL6920247

N#Cc1cn(-c2cc(C3CCCCC3)n(N)c(=O)c2)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
P4HTM Q9NXG6 2/20 0.31
NR1I2 O75469 1/20 0.31
KDM4B O94953 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
DOHH Q9BU89 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
SCHEMBL6827215 0.82 NR1I2 (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL7131529 0.80 MLLT3 (0.40) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6924594 0.79 ALDH1A1 (0.35) MKNK2NR1I2KDM4BCHRM1TBXA2R
SCHEMBL6827693 0.78 NPC1 (0.43)
SCHEMBL6919056 0.76 MLLT3 (0.44) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6924757 0.76 P4HTM (0.34) MKNK1MKNK2P4HTM
SCHEMBL7131791 0.76 MLLT3 (0.39) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6827359 0.74 PGR (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6824827 0.74 PGR (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6827087 0.73 PGR (0.39)

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed